Geometry & MOs

Info

ID:	59110
PubChem CID:	24770999
Reduced:	O3N8C33H42 (1)
Stoich.:	A3B8C33D42 (1)
Weight, g/mol:	394.109962
ΔH_f, kcal/mol:	-56.15
Dipole, Da:	4.75
IP(EA), eV:	-8.43(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1-naphthalen-1-ylsulfonylindazol-4-yl)amino]propanamide

Drug info:

PubChemData

Smile

CCC(=O)N[C@H]1CC([C@@H]([C@@H]1O)O)N2C=NC3=C(N=C(N=C32)NC4CCC(CC4)N)NCC(C5=CC=CC=C5)C6=CC=CC=C6

DOS

IR

Vibrations