Geometry & MOs

Info

ID:	56878
PubChem CID:	22394666
Reduced:	BrSO2N5H22C25 (1)
Stoich.:	ABC2D5E22F25 (1)
Weight, g/mol:	415.086974
ΔH_f, kcal/mol:	51.24
Dipole, Da:	6.56
IP(EA), eV:	-8.24(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C(C/C(=N\N=C(N)N)/C2=C1N(C3=C2C=C(C=C3)Br)S(=O)(=O)C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations