Geometry & MOs

Info

ID:	72505
PubChem CID:	48416247
Reduced:	SN2O4C19H24 (1)
Stoich.:	AB2C4D19E24 (1)
Weight, g/mol:	378.215472
ΔH_f, kcal/mol:	-144.06
Dipole, Da:	2.18
IP(EA), eV:	-8.62(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[(2-acetamido-3-methylbutanoyl)amino]methyl]-3-(4-ethoxyphenyl)propanoate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC(CNC(=O)CC2=CSC(=N2)C)C(=O)OC

DOS

IR

Vibrations