Geometry & MOs

Info

ID:	72488
PubChem CID:	48416230
Reduced:	NSO4C19H23 (1)
Stoich.:	ABC4D19E23 (1)
Weight, g/mol:	361.134779
ΔH_f, kcal/mol:	-142.72
Dipole, Da:	1.96
IP(EA), eV:	-8.58(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(4-ethoxyphenyl)methyl]-3-[(5-methylthiophene-2-carbonyl)amino]propanoate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC(CNC(=O)C2=C(C=CS2)C)C(=O)OC

DOS

IR

Vibrations