Geometry & MOs

Info

ID:	397130
PubChem CID:	135029769
Reduced:	ISN3O7C29H34 (1)
Stoich.:	ABC3D7E29F34 (1)
Weight, g/mol:	593.04814
ΔH_f, kcal/mol:	-152.22
Dipole, Da:	6.25
IP(EA), eV:	-9.0(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C/C=C(/CN(CCC1(C2=CC=CC=C2N(C13CC=CC3)C(=O)OC(C)(C)C)O)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-])\I

DOS

IR

Vibrations