Geometry & MOs

Info

ID:	63667
PubChem CID:	26758910
Reduced:	ClNO4H20C22 (1)
Stoich.:	ABC4D20E22 (1)
Weight, g/mol:	397.108086
ΔH_f, kcal/mol:	-123.27
Dipole, Da:	5.88
IP(EA), eV:	-8.93(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl] 3-methoxynaphthalene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Cl)NC(=O)[C@H](C)OC(=O)C2=CC3=CC=CC=C3C=C2OC

DOS

IR

Vibrations