Geometry & MOs

Info

ID:	56667
PubChem CID:	17505753
Reduced:	S2F3N3O4C14H14 (1)
Stoich.:	A2B3C3D4E14F14 (1)
Weight, g/mol:	357.088019
ΔH_f, kcal/mol:	-272.28
Dipole, Da:	6.86
IP(EA), eV:	-9.39(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-(3-indol-1-ylpropyl)-4-nitrobenzamide

Drug info:

PubChemData

Smile

CC1=CN=C(S1)NC(=O)CCNS(=O)(=O)C2=CC=C(C=C2)OC(F)(F)F

DOS

IR

Vibrations