Geometry & MOs

Info

ID:	406040
PubChem CID:	135076331
Reduced:	NSO2F6H7C9 (1)
Stoich.:	ABC2D6E7F9 (1)
Weight, g/mol:	607.11793
ΔH_f, kcal/mol:	-366.07
Dipole, Da:	1.58
IP(EA), eV:	-10.64(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(cyclohexylamino)-1-(2-iodo-4,5-dimethoxyphenyl)-2-oxoethyl]-4-nitro-N-prop-2-enylbenzamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CNS(=O)(=O)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations