Geometry & MOs

Info

ID:	35983
PubChem CID:	7980596
Reduced:	NSO4H21C23 (1)
Stoich.:	ABC4D21E23 (1)
Weight, g/mol:	367.097521
ΔH_f, kcal/mol:	-84.61
Dipole, Da:	3.89
IP(EA), eV:	-8.46(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] naphthalene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)CSC3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations