Geometry & MOs

Info

ID:	138280
PubChem CID:	52339307
Reduced:	N4O5H18C19 (1)
Stoich.:	A4B5C18D19 (1)
Weight, g/mol:	347.092436
ΔH_f, kcal/mol:	-30.66
Dipole, Da:	9.55
IP(EA), eV:	-9.62(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]-2-oxoethyl] 4-chlorobenzoate

Drug info:

PubChemData

Smile

CC(=O)C1=CC(=CC=C1)OC[C@@H](CN2C=NC(=N2)C3=CC=C(C=C3)[N+](=O)[O-])O

DOS

IR

Vibrations