Geometry & MOs

Info

ID:	72483
PubChem CID:	48416225
Reduced:	N2O4C19H22 (1)
Stoich.:	A2B4C19D22 (1)
Weight, g/mol:	403.145344
ΔH_f, kcal/mol:	-127.18
Dipole, Da:	4.41
IP(EA), eV:	-8.8(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(4-ethoxyphenyl)methyl]-3-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]propanoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations