Geometry & MOs

Info

ID:	56877
PubChem CID:	22394665
Reduced:	SO2N5H21C23 (1)
Stoich.:	AB2C5D21E23 (1)
Weight, g/mol:	535.06776
ΔH_f, kcal/mol:	58.35
Dipole, Da:	5.16
IP(EA), eV:	-8.31(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(E)-[9-(benzenesulfonyl)-6-bromo-2-phenyl-2,3-dihydro-1H-carbazol-4-ylidene]amino]guanidine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C/C(=N/N=C(N)N)/C2=CN(C3=CC=CC=C32)S(=O)(=O)C4=CC=CC=C4

DOS

IR

Vibrations