Geometry & MOs

Info

ID:	26414
PubChem CID:	647110
Reduced:	SN4O5C21H24 (1)
Stoich.:	AB4C5D21E24 (1)
Weight, g/mol:	460.097204
ΔH_f, kcal/mol:	-120.33
Dipole, Da:	8.04
IP(EA), eV:	-8.79(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[2-[[5-[(4-chloroanilino)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-2-methoxyphenyl]propanamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2CCOC)C3=C(OC=C3)C

DOS

IR

Vibrations