Geometry & MOs

Info

ID:	243258
PubChem CID:	99217970
Reduced:	S2N3O3F4C17H17 (1)
Stoich.:	A2B3C3D4E17F17 (1)
Weight, g/mol:	385.026345
ΔH_f, kcal/mol:	-277.56
Dipole, Da:	4.11
IP(EA), eV:	-8.98(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-chloro-N-(4-methyl-1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethyl)isoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CSC(=N1)N(CC(F)(F)F)C(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCCC3

DOS

IR

Vibrations