Geometry & MOs

Info

ID:	233028
PubChem CID:	87691479
Reduced:	BrN2O4C14H27 (1)
Stoich.:	AB2C4D14E27 (1)
Weight, g/mol:	179.999349
ΔH_f, kcal/mol:	-197.63
Dipole, Da:	2.07
IP(EA), eV:	-9.61(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-sulfanyl-1H-indazole-4,7-dione

Drug info:

PubChemData

Smile

CC1(C(=O)N(C(N1Br)(C)C)CCOCCOCCOC)C

DOS

IR

Vibrations