Geometry & MOs

Info

ID:	140671
PubChem CID:	52739935
Reduced:	SN2O5C24H30 (1)
Stoich.:	AB2C5D24E30 (1)
Weight, g/mol:	447.147744
ΔH_f, kcal/mol:	-164.12
Dipole, Da:	4.38
IP(EA), eV:	-8.88(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-imidazol-1-ylphenyl)methyl]-3-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide

Drug info:

PubChemData

Smile

CCN([C@@H](C)C1=CC2=CC=CC=C2O1)C(=O)C3=CC(=C(C=C3)OC)S(=O)(=O)NC(C)(C)C

DOS

IR

Vibrations