Geometry & MOs

Info

ID:	429889
PubChem CID:	135169943
Reduced:	SF3N8H17C22 (1)
Stoich.:	AB3C8D17E22 (1)
Weight, g/mol:	484.079011
ΔH_f, kcal/mol:	70.36
Dipole, Da:	3.62
IP(EA), eV:	-9.02(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-cyano-6-(triazol-2-yl)-1,2-dihydropyridin-3-yl]-1-thieno[3,2-d]pyrimidin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1N2N=CC=N2)NC(=C=C)/C(=C/N)/C(=NC3=CC=CC4=C3SC=N4)C(F)(F)F

DOS

IR

Vibrations