Geometry & MOs

Info

ID:	333311
PubChem CID:	127251863
Reduced:	FSO3N5C21H26 (1)
Stoich.:	ABC3D5E21F26 (1)
Weight, g/mol:	415.204196
ΔH_f, kcal/mol:	-126.29
Dipole, Da:	5.62
IP(EA), eV:	-9.23(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)S(=O)(=O)N2CCC3=C(C2)C(=NC(=N3)C4CCN(C4)C(=O)C)NC)F

DOS

IR

Vibrations