Geometry & MOs

Info

ID:	219253
PubChem CID:	85096715
Reduced:	O4C31H38 (1)
Stoich.:	A4B31C38 (1)
Weight, g/mol:	472.93826
ΔH_f, kcal/mol:	-110.77
Dipole, Da:	5.99
IP(EA), eV:	-8.95(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[1-(4-bromo-5-chlorothiophen-2-yl)sulfonylindol-3-yl]ethylideneamino]guanidine

Drug info:

PubChemData

Smile

CC12CC(C3=C4CCC(=O)C=C4CCC3C1CCC2(C#CC(C)(C)OC)O)C5=CC(=CC=C5)OC

DOS

IR

Vibrations