Geometry & MOs

Info

ID:	381158
PubChem CID:	134971809
Reduced:	O3C13H16 (1)
Stoich.:	A3B13C16 (1)
Weight, g/mol:	351.026682
ΔH_f, kcal/mol:	-84.25
Dipole, Da:	1.04
IP(EA), eV:	-9.49(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N'-(3,4-dihydro-1H-isoquinoline-2-carbothioyl)thiophene-2-carbohydrazide

Drug info:

PubChemData

Smile

CC1(OCC2(CO2)C(O1)C3=CC=CC=C3)C

DOS

IR

Vibrations