(5S)-5-(2-Amino-2-Oxoethyl)-4-Oxo-N-[(3-Oxo-3,4-Dihydro-2H-1,4-Benzoxazin-6-Yl)Methyl]-3,4,5,6,7,8-Hexahydro[1]Benzothieno[2,3-D]Pyrimidine-2-Carboxamide

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Properties Simple | Detailed

Formula C22H21N5O5S
IUPAC Name (5s)-5-(2-amino-2-oxo-ethyl)-4-oxo-n-[(3-oxo-4h-1,4-benzoxazin-6-yl)methyl]-5,6,7,8-tetrahydro-3h-benzothiopheno[2,3-d]pyrimidine-2-carboxamide
Molecular Mass 467.498 g·mol−1
Heat of Formation -653.1 ± 16.7 kJ·mol−1
Dipole Moment 5.07 ± 1.08 D
Volume 504.23 Å 3
Surface Area 441.77 Å 2
HOMO Energy -9.10 ± 0.55 eV
LUMO Energy 1.35 ± eV
Point Group Symmetry C1
InChIKey ITADELAVAWJACR-NSHDSACASA-N
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