Geometry & MOs

Info

ID:	59444
PubChem CID:	24870691
Reduced:	NSO2C7H8 (2)
Stoich.:	ABC2D7E8 (2)
Weight, g/mol:	483.168223
ΔH_f, kcal/mol:	-118.22
Dipole, Da:	5.56
IP(EA), eV:	-9.26(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3-difluoro-8-[4-fluoro-3-(2-fluoropyridin-3-yl)phenyl]-8-(4-methoxy-3-methylphenyl)-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine

Drug info:

PubChemData

Smile

COC(=O)CSC1=C(C(=O)NC(S1)C2=C(CCCC2)O)C#N

DOS

IR

Vibrations