Geometry & MOs

Info

ID:	314606
PubChem CID:	126622430
Reduced:	SO3C9H16 (1)
Stoich.:	AB3C9D16 (1)
Weight, g/mol:	414.116442
ΔH_f, kcal/mol:	-131.14
Dipole, Da:	1.45
IP(EA), eV:	-9.07(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[2-[6-(difluoromethyl)pyridin-2-yl]-7H-purin-6-yl]amino]-3-fluoropyridin-2-yl]acetamide

Drug info:

PubChemData

Smile

CCOC(=O)CSCC1(COC1)C

DOS

IR

Vibrations