Geometry & MOs

Info

ID:	157205
PubChem CID:	56422395
Reduced:	FOS2N5H18C22 (1)
Stoich.:	ABC2D5E18F22 (1)
Weight, g/mol:	443.151492
ΔH_f, kcal/mol:	65.87
Dipole, Da:	2.95
IP(EA), eV:	-8.86(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1H-indol-5-yl)-N-(4-methylpentan-2-yl)-3-methylsulfonyl-5-nitrobenzamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=CC=C(C=C2)F)C)/C=C/C(=O)NC3=CC=CC=C3SC4=NN=CS4

DOS

IR

Vibrations