Geometry & MOs

Info

ID:	20358
PubChem CID:	583304
Reduced:	SN4C17H18 (1)
Stoich.:	AB4C17D18 (1)
Weight, g/mol:	310.125218
ΔH_f, kcal/mol:	97.84
Dipole, Da:	3.09
IP(EA), eV:	-8.41(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-pyridin-2-ylethylidene)-3,4-dihydro-1H-isoquinoline-2-carbohydrazonothioic acid

Drug info:

PubChemData

Smile

CC(=NN=C(N1CCC2=CC=CC=C2C1)S)C3=CC=CC=N3

DOS

IR

Vibrations