Geometry & MOs

Info

ID:	196191
PubChem CID:	78794377
Reduced:	SCl2O3N4C14H16 (1)
Stoich.:	AB2C3D4E14F16 (1)
Weight, g/mol:	328.099397
ΔH_f, kcal/mol:	-101.4
Dipole, Da:	4.48
IP(EA), eV:	-9.15(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-oxo-2H-isoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CCCCN1C(=C(C(=O)NC1=O)N(C)C(=O)C2=C(SC(=C2)Cl)Cl)N

DOS

IR

Vibrations