Geometry & MOs

Info

ID:	242755
PubChem CID:	99206103
Reduced:	SN3O5H21C23 (1)
Stoich.:	AB3C5D21E23 (1)
Weight, g/mol:	356.076553
ΔH_f, kcal/mol:	-88.7
Dipole, Da:	5.17
IP(EA), eV:	-8.71(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(pyridin-3-ylmethylsulfanyl)-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OCC2=CC=C(O2)C(=O)NC3=NC(=CS3)C4=CNC(=C4)C(=O)OC)C

DOS

IR

Vibrations