1-[(3R)-1-(Adamantan-1-Ylmethyl)-2,4-Dioxo-5-Phenyl-2,3,4,5-Tetrahydro-1H-1,5-Benzodiazepin-3-Yl]-3-Phenylurea

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Properties Simple | Detailed

Formula C33H34N4O3
IUPAC Name 1-[(3s)-1-(1-adamantylmethyl)-2,4-dioxo-5-phenyl-1,5-benzodiazepin-3-yl]-3-phenyl-urea
Molecular Mass 534.648 g·mol−1
Heat of Formation -260.6 ± 16.7 kJ·mol−1
Dipole Moment 3.94 ± 1.08 D
Volume 624.57 Å 3
Surface Area 479.13 Å 2
HOMO Energy -8.78 ± 0.55 eV
LUMO Energy 2.38 ± eV
Point Group Symmetry C1
InChIKey RZERRLOTRSJIAW-AGCKQNESSA-N
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