Geometry & MOs

Info

ID:	355722
PubChem CID:	127289795
Reduced:	SO3N4C19H28 (1)
Stoich.:	AB3C4D19E28 (1)
Weight, g/mol:	377.185175
ΔH_f, kcal/mol:	-97.47
Dipole, Da:	2.66
IP(EA), eV:	-9.3(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one

Drug info:

PubChemData

Smile

C1CCC(CC1)N(C2CCS(=O)(=O)C2)C(=O)CN3CCC4=CN=CN=C4C3

DOS

IR

Vibrations