Geometry & MOs

Info

ID:	262442
PubChem CID:	103293068
Reduced:	ClON3C16H16 (1)
Stoich.:	ABC3D16E16 (1)
Weight, g/mol:	302.066949
ΔH_f, kcal/mol:	18.16
Dipole, Da:	7.65
IP(EA), eV:	-8.2(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(2-chloro-6-methoxyphenyl)methylcarbamoylamino]-3-hydroxypropanoic acid

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)N=C(N2CC3=C(C=CC=C3Cl)OC)N

DOS

IR

Vibrations