Geometry & MOs

Info

ID:	56094
PubChem CID:	17404360
Reduced:	OCl2S2N3H7C13 (1)
Stoich.:	AB2C2D3E7F13 (1)
Weight, g/mol:	336.111007
ΔH_f, kcal/mol:	66.35
Dipole, Da:	3.57
IP(EA), eV:	-9.01(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-anilino-1-oxopropan-2-yl) 1-oxo-2H-isoquinoline-3-carboxylate

Drug info:

PubChemData

Smile

C1=CN=CC=C1C(=O)NC2=NC(=CS2)C3=C(SC(=C3)Cl)Cl

DOS

IR

Vibrations