Geometry & MOs

Info

ID:	237288
PubChem CID:	92718090
Reduced:	O2S2N5H21C24 (1)
Stoich.:	A2B2C5D21E24 (1)
Weight, g/mol:	436.076075
ΔH_f, kcal/mol:	36.12
Dipole, Da:	4.82
IP(EA), eV:	-9.06(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(S)-(4-chlorophenyl)-phenylmethyl]-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=O)N5C(=N4)SC(=N5)CC

DOS

IR

Vibrations