Geometry & MOs

Info

ID:	333378
PubChem CID:	127251930
Reduced:	SO3N5C22H29 (1)
Stoich.:	AB3C5D22E29 (1)
Weight, g/mol:	435.174039
ΔH_f, kcal/mol:	-82.48
Dipole, Da:	8.02
IP(EA), eV:	-9.18(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(5-fluoro-2-methoxyphenyl)sulfonylpyrrolidin-3-yl]-N,7-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CS(=O)(=O)N2CCC3=C(C2)N=C(N=C3NC)C4CCN(C4)C(=O)C

DOS

IR

Vibrations