Geometry & MOs

Info

ID:	72403
PubChem CID:	48416136
Reduced:	NSO4C18H21 (1)
Stoich.:	ABC4D18E21 (1)
Weight, g/mol:	398.184172
ΔH_f, kcal/mol:	-129.94
Dipole, Da:	2.37
IP(EA), eV:	-8.73(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC(CNC(=O)C2=CSC=C2)C(=O)OC

DOS

IR

Vibrations