Geometry & MOs

Info

ID:	253344
PubChem CID:	103117871
Reduced:	OSN4C12H12 (1)
Stoich.:	ABC4D12E12 (1)
Weight, g/mol:	276.104482
ΔH_f, kcal/mol:	39.57
Dipole, Da:	4.68
IP(EA), eV:	-8.59(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-amino-3-sulfanylidenepropyl)-N,1-dimethylindazole-3-carboxamide

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(=O)NC2=CC=CC(=C2)C(=S)N

DOS

IR

Vibrations