Geometry & MOs

Info

ID:	391023
PubChem CID:	135002287
Reduced:	NS2O3H11C13 (1)
Stoich.:	AB2C3D11E13 (1)
Weight, g/mol:	398.199428
ΔH_f, kcal/mol:	-51.58
Dipole, Da:	2.24
IP(EA), eV:	-9.31(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S,5R)-3-benzyl-2,4-diphenyl-5-propan-2-yl-4H-imidazole-5-carboxylic acid

Drug info:

PubChemData

Smile

COC(=O)/C=C/1\C(=O)N(C(=S)S1)CC2=CC=CC=C2

DOS

IR

Vibrations