Geometry & MOs

Info

ID:	63970
PubChem CID:	26759589
Reduced:	NF3O4H18C19 (1)
Stoich.:	AB3C4D18E19 (1)
Weight, g/mol:	460.178041
ΔH_f, kcal/mol:	-291.13
Dipole, Da:	1.1
IP(EA), eV:	-8.89(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-nitro-4-pyrrolidin-1-ylbenzamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC=CC=C1C(F)(F)F)OC(=O)CC2=CC=C(C=C2)OC

DOS

IR

Vibrations