Geometry & MOs

Info

ID:	36050
PubChem CID:	7980700
Reduced:	NO3C24H25 (1)
Stoich.:	AB3C24D25 (1)
Weight, g/mol:	394.116486
ΔH_f, kcal/mol:	-89.45
Dipole, Da:	5.57
IP(EA), eV:	-9.29(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(2-methoxy-4-nitroanilino)-1-oxopropan-2-yl] naphthalene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(C)C)NC(=O)[C@H](C)OC(=O)C2=CC3=CC=CC=C3C=C2

DOS

IR

Vibrations