Geometry & MOs

Info

ID:	157313
PubChem CID:	56422868
Reduced:	OSN5H21C25 (1)
Stoich.:	ABC5D21E25 (1)
Weight, g/mol:	407.092436
ΔH_f, kcal/mol:	117.86
Dipole, Da:	2.4
IP(EA), eV:	-8.64(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chlorobenzoyl)-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)benzamide

Drug info:

PubChemData

Smile

C1C(N(N=C1C(=O)NCC2=NC(=CS2)C3=CC=NC=C3)C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations