Geometry & MOs

Info

ID:	333350
PubChem CID:	127251902
Reduced:	SO3N6C19H30 (1)
Stoich.:	AB3C6D19E30 (1)
Weight, g/mol:	380.199445
ΔH_f, kcal/mol:	-107.18
Dipole, Da:	1.37
IP(EA), eV:	-9.13(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-7-piperidin-1-ylsulfonyl-2-pyrrolidin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC(=O)N1CCC(C1)C2=NC3=C(CCN(C3)S(=O)(=O)N4CCCCC4)C(=N2)NC

DOS

IR

Vibrations