Geometry & MOs

Info

ID:	332619
PubChem CID:	127250905
Reduced:	SO2N4C21H28 (1)
Stoich.:	AB2C4D21E28 (1)
Weight, g/mol:	404.257612
ΔH_f, kcal/mol:	-47.17
Dipole, Da:	7.6
IP(EA), eV:	-8.74(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(8-benzyl-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]-cyclopentylmethanone

Drug info:

PubChemData

Smile

CCS(=O)(=O)N1CCC(C1)C2=NC(=C3CCCN(C3=N2)CC4=CC=CC=C4)C

DOS

IR

Vibrations