Geometry & MOs

Info

ID:	39186
PubChem CID:	8139884
Reduced:	ClNO4C19H20 (1)
Stoich.:	ABC4D19E20 (1)
Weight, g/mol:	402.19483
ΔH_f, kcal/mol:	-139.62
Dipole, Da:	5.58
IP(EA), eV:	-9.5(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-[[[(2S)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoyl]amino]methyl]phenyl]methyl-dimethylazanium

Drug info:

PubChemData

Smile

CCNC(=O)[C@H](C)OC(=O)C1=CC=CC=C1OCC2=CC=C(C=C2)Cl

DOS

IR

Vibrations