Geometry & MOs

Info

ID:	161247
PubChem CID:	57391154
Reduced:	ON2S2H8C12 (1)
Stoich.:	AB2C2D8E12 (1)
Weight, g/mol:	638.242661
ΔH_f, kcal/mol:	40.82
Dipole, Da:	3.16
IP(EA), eV:	-8.85(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5S)-4,5-bis(4-chlorophenyl)-N-[4-(diethylamino)-4-oxobutyl]-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazole-1-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=C(N2)/C=C\3/C(=O)NC(=S)S3

DOS

IR

Vibrations