Geometry & MOs

Info

ID:	72415
PubChem CID:	48416151
Reduced:	SN2O4C20H24 (1)
Stoich.:	AB2C4D20E24 (1)
Weight, g/mol:	400.163436
ΔH_f, kcal/mol:	-127.34
Dipole, Da:	4.06
IP(EA), eV:	-8.79(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC(CNC(=O)C2=C(N=CC=C2)SC)C(=O)OC

DOS

IR

Vibrations