Geometry & MOs

Info

ID:	333327
PubChem CID:	127251879
Reduced:	SO3N5C22H31 (1)
Stoich.:	AB3C5D22E31 (1)
Weight, g/mol:	417.183461
ΔH_f, kcal/mol:	-81.53
Dipole, Da:	6.3
IP(EA), eV:	-8.83(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1S(=O)(=O)N2CCC(C2)C3=NC4=C(CN(CC4)C)C(=N3)NC)C)OC

DOS

IR

Vibrations