Geometry & MOs

Info

ID:	364114
PubChem CID:	127314060
Reduced:	FSO3N4H15C16 (1)
Stoich.:	ABC3D4E15F16 (1)
Weight, g/mol:	315.104148
ΔH_f, kcal/mol:	-113.95
Dipole, Da:	6.07
IP(EA), eV:	-9.76(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(2,3-dihydro-1H-inden-5-ylsulfonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine

Drug info:

PubChemData

Smile

C1CC(=O)NC2=CC(=C(C=C21)S(=O)(=O)N3CCC4=CN=CN=C4C3)F

DOS

IR

Vibrations