Geometry & MOs

Info

ID:	56876
PubChem CID:	22394661
Reduced:	BrSO2N5H16C17 (1)
Stoich.:	ABC2D5E16F17 (1)
Weight, g/mol:	431.141596
ΔH_f, kcal/mol:	31.48
Dipole, Da:	4.74
IP(EA), eV:	-8.35(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(Z)-[1-[1-(benzenesulfonyl)indol-3-yl]-2-phenylethylidene]amino]guanidine

Drug info:

PubChemData

Smile

C/C(=N/N=C(N)N)/C1=CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=CC=C3Br

DOS

IR

Vibrations