Geometry & MOs

Info

ID:	402483
PubChem CID:	135056155
Reduced:	NO2F3C17H20 (1)
Stoich.:	AB2C3D17E20 (1)
Weight, g/mol:	408.114378
ΔH_f, kcal/mol:	-194.93
Dipole, Da:	6.18
IP(EA), eV:	-9.25(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-4-nitro-N-[(1S)-1-phenylprop-2-enyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CCC/C=C/[C@H](C=C)N(C1=CC=C(C=C1)OC)C(=O)C(F)(F)F

DOS

IR

Vibrations