Geometry & MOs

Info

ID:	72448
PubChem CID:	48416186
Reduced:	NSO4C21H27 (1)
Stoich.:	ABC4D21E27 (1)
Weight, g/mol:	366.157957
ΔH_f, kcal/mol:	-152.14
Dipole, Da:	2.63
IP(EA), eV:	-8.72(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[(3-cyanobenzoyl)amino]methyl]-3-(4-ethoxyphenyl)propanoate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC(CNC(=O)CCCC2=CC=CS2)C(=O)OC

DOS

IR

Vibrations