Geometry & MOs

Info

ID:	72382
PubChem CID:	48416109
Reduced:	SN2O5C19H26 (1)
Stoich.:	AB2C5D19E26 (1)
Weight, g/mol:	372.168522
ΔH_f, kcal/mol:	-209.1
Dipole, Da:	3.41
IP(EA), eV:	-8.76(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(4-ethoxyphenyl)methyl]-3-[(6-methoxypyridine-3-carbonyl)amino]propanoate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC(CNC(=O)CCN2CCSC2=O)C(=O)OC

DOS

IR

Vibrations