Geometry & MOs

Info

ID:	62020
PubChem CID:	26717064
Reduced:	N4O4H20C25 (1)
Stoich.:	A4B4C20D25 (1)
Weight, g/mol:	472.145678
ΔH_f, kcal/mol:	-50.64
Dipole, Da:	7.95
IP(EA), eV:	-8.53(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-acetylphenyl)sulfonylamino]-N-[(1S)-1-naphthalen-2-ylethyl]benzamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC5=C(C=C4)NC(=O)N5)OC

DOS

IR

Vibrations