Geometry & MOs

Info

ID:	72487
PubChem CID:	48416229
Reduced:	NO3C10H11 (2)
Stoich.:	AB3C10D11 (2)
Weight, g/mol:	361.134779
ΔH_f, kcal/mol:	-140.87
Dipole, Da:	8.82
IP(EA), eV:	-9.04(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC(CNC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC

DOS

IR

Vibrations