Geometry & MOs

Info

ID:	364042
PubChem CID:	127313713
Reduced:	SO2N4C18H18 (1)
Stoich.:	AB2C4D18E18 (1)
Weight, g/mol:	338.174276
ΔH_f, kcal/mol:	-4.4
Dipole, Da:	4.55
IP(EA), eV:	-9.24(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl)-3,6,6-trimethyl-5,7-dihydro-1H-indol-4-one

Drug info:

PubChemData

Smile

C1CN(CC2=NC=NC=C21)C(=O)C3CSCN3C(=O)C4=CC=CC=C4

DOS

IR

Vibrations