7-[(5-Amino-5-Carboxypentanoyl)Amino]-3-[(Carbamoyloxy)Methyl]-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid

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Properties Simple | Detailed

Formula C15H20N4O8S
IUPAC Name (6r,7s)-7-[[(5s)-5-amino-5-carboxy-pentanoyl]amino]-3-(carbamoyloxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Molecular Mass 416.406 g·mol−1
Heat of Formation -1281.9 ± 16.7 kJ·mol−1
Dipole Moment 5.74 ± 1.08 D
Volume 459.25 Å 3
Surface Area 411.52 Å 2
HOMO Energy -9.18 ± 0.55 eV
LUMO Energy -0.75 ± eV
Point Group Symmetry C1
InChIKey LSRDVUINCBDNAZ-QOSJWCAFSA-N
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