Geometry & MOs

Info

ID:	398754
PubChem CID:	135035229
Reduced:	O2N5H21C28 (1)
Stoich.:	A2B5C21D28 (1)
Weight, g/mol:	593.04814
ΔH_f, kcal/mol:	129.95
Dipole, Da:	5.65
IP(EA), eV:	-8.95(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(Z)-2-iodobut-2-enyl]-4-nitro-N-[2-(3-oxo-2,4-dihydro-1H-carbazol-4a-yl)ethyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=NN(C2=C1C(C3(O2)C(=NN(C3=O)C4=CC=CC=C4)C)C5=CC=C(C=C5)C#N)C6=CC=CC=C6

DOS

IR

Vibrations