Geometry & MOs

Info

ID:	181997
PubChem CID:	76824572
Reduced:	ClN2O4C26H33 (1)
Stoich.:	AB2C4D26E33 (1)
Weight, g/mol:	347.032728
ΔH_f, kcal/mol:	-141.03
Dipole, Da:	4.97
IP(EA), eV:	-8.17(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[benzyl-(2-chloroacetyl)amino]-3-(2-chloroacetyl)oxypropanoic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1C)OCC(=O)OC)C2CCCC3N2CCN(C3)C4=CC(=C(C=C4)Cl)OC

DOS

IR

Vibrations