Geometry & MOs

Info

ID:	237252
PubChem CID:	92718030
Reduced:	SO2N5C24H31 (1)
Stoich.:	AB2C5D24E31 (1)
Weight, g/mol:	462.12811
ΔH_f, kcal/mol:	-65.35
Dipole, Da:	6.95
IP(EA), eV:	-9.07(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(R)-(4-chlorophenyl)-phenylmethyl]-2-[[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=NN=C2S[C@@H](C)C(=O)NC(=O)NC34CC5CC(C3)CC(C5)C4)C

DOS

IR

Vibrations