Geometry & MOs

Info

ID:	84954
PubChem CID:	49870909
Reduced:	SN4O4C22H22 (1)
Stoich.:	AB4C4D22E22 (1)
Weight, g/mol:	538.226329
ΔH_f, kcal/mol:	-101.25
Dipole, Da:	2.67
IP(EA), eV:	-8.58(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-phenyl-3-sulfanylpropan-2-yl)-5-propyl-1-[[6-[2-(2H-tetrazol-5-yl)phenyl]pyridin-3-yl]methyl]pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C1COCCN1CC2=CNC(=C2)/C=C\3/C4=C(C=CC(=C4)CN5C(=O)CSC5=O)NC3=O

DOS

IR

Vibrations