Geometry & MOs

Info

ID:	169620
PubChem CID:	75127082
Reduced:	S2N3O3C19H21 (1)
Stoich.:	A2B3C3D19E21 (1)
Weight, g/mol:	346.131742
ΔH_f, kcal/mol:	-19.08
Dipole, Da:	5.94
IP(EA), eV:	-9.13(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-naphthalen-1-ylethyl)-3-(2-nitrophenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(SC2=NC(=NC(=O)C12)CSC(C)C(=O)NOCC3=CC=CC=C3)C

DOS

IR

Vibrations