Geometry & MOs

Info

ID:	170361
PubChem CID:	75221198
Reduced:	N2H15C23 (2)
Stoich.:	A2B15C23 (2)
Weight, g/mol:	422.070321
ΔH_f, kcal/mol:	263.83
Dipole, Da:	11.28
IP(EA), eV:	-8.39(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(4-chloro-3-nitrophenyl)prop-2-enoyl]-N,N-diethylbenzenesulfonamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C(C3(C(NC4=C(C3=C2C5=CC=CC=C5)C=C(C=C4)C#N)C6=CNC7=C6C=C(C=C7)C#N)C8=CC=CC=C8)C9=CC=CC=C9

DOS

IR

Vibrations