Geometry & MOs

Info

ID:	181836
PubChem CID:	76801210
Reduced:	SF4N4H20C23 (1)
Stoich.:	AB4C4D20E23 (1)
Weight, g/mol:	501.144631
ΔH_f, kcal/mol:	-111.43
Dipole, Da:	5.83
IP(EA), eV:	-8.99(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[2-amino-3-[6-(1,1-difluoroethyl)pyridin-3-yl]propyl]amino]-5-(3-fluoroisoquinolin-6-yl)-1,3-thiazole-4-carboxylate

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)C(F)(F)F)C(CNC2=NC=C(S2)C3=CC4=CC(=NC=C4C=C3)F)N

DOS

IR

Vibrations