Geometry & MOs

Info

ID:	172945
PubChem CID:	75575312
Reduced:	ClN5O5H14C16 (1)
Stoich.:	AB5C5D14E16 (1)
Weight, g/mol:	259.0667
ΔH_f, kcal/mol:	-47.44
Dipole, Da:	8.62
IP(EA), eV:	-9.85(-2.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-phenylethenyl)benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=C(C(=O)N(C(=O)C1=NNC2=C(C=CC(=C2)[N+](=O)[O-])Cl)CCCO)C#N

DOS

IR

Vibrations