Geometry & MOs

Info

ID:	429795
PubChem CID:	135169847
Reduced:	ClFISN3H8C16 (1)
Stoich.:	ABCDE3F8G16 (1)
Weight, g/mol:	492.092451
ΔH_f, kcal/mol:	68.95
Dipole, Da:	1.6
IP(EA), eV:	-9.23(-2.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[(2E)-2-(aminomethylidene)-4,4,4-trifluoro-3-[(1-oxo-2H-isoquinolin-5-yl)imino]butanoyl]amino]-3-chloro-N-methylpyridine-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC2=C(N=C1)N(C=C2C3=CC4=C(C=CN=C4C(=C3)F)Cl)SI

DOS

IR

Vibrations