Geometry & MOs

Info

ID:	355721
PubChem CID:	127289794
Reduced:	SO2N5C18H21 (1)
Stoich.:	AB2C5D18E21 (1)
Weight, g/mol:	392.188212
ΔH_f, kcal/mol:	-6.38
Dipole, Da:	6.96
IP(EA), eV:	-9.18(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-(1,1-dioxothiolan-3-yl)acetamide

Drug info:

PubChemData

Smile

C1CN(CC2=NC=NC=C21)CC(=O)N3CCN(CC3)C(=O)C4=CC=CS4

DOS

IR

Vibrations