Geometry & MOs

Info

ID:	138281
PubChem CID:	52340114
Reduced:	ClNO4C18H18 (1)
Stoich.:	ABC4D18E18 (1)
Weight, g/mol:	347.092436
ΔH_f, kcal/mol:	-135.38
Dipole, Da:	1.53
IP(EA), eV:	-8.96(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-2-oxoethyl] 4-chlorobenzoate

Drug info:

PubChemData

Smile

C[C@H](C1=CC(=CC=C1)OC)NC(=O)COC(=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations