Geometry & MOs

Info

ID:	47089
PubChem CID:	10529493
Reduced:	NO6C29H45 (1)
Stoich.:	AB6C29D45 (1)
Weight, g/mol:	503.095807
ΔH_f, kcal/mol:	-306.74
Dipole, Da:	6.58
IP(EA), eV:	-8.71(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(benzenesulfonyl)-3,3-diphenylprop-2-enyl] N-(4-chlorophenyl)carbamate

Drug info:

PubChemData

Smile

CC(=O)OCC(=O)[C@H]1CC[C@@H]2[C@@]1(CC(=O)[C@H]3[C@H]2CC[C@@H]4[C@@]3(C[C@@H]([C@H](C4)O)N5CCOC(C5)(C)C)C)C

DOS

IR

Vibrations