Geometry & MOs

Info

ID:	72392
PubChem CID:	48416123
Reduced:	SN2O5C19H24 (1)
Stoich.:	AB2C5D19E24 (1)
Weight, g/mol:	415.199488
ΔH_f, kcal/mol:	-199.16
Dipole, Da:	3.65
IP(EA), eV:	-8.64(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC(CNC(=O)CN2C(=CSC2=O)C)C(=O)OC

DOS

IR

Vibrations