Geometry & MOs

Info

ID:	193041
PubChem CID:	78337577
Reduced:	SN3O4C20H23 (1)
Stoich.:	AB3C4D20E23 (1)
Weight, g/mol:	363.125277
ΔH_f, kcal/mol:	-108.46
Dipole, Da:	7.0
IP(EA), eV:	-9.2(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methoxyphenyl)-6-propan-2-ylsulfonyl-4a,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2NC3CCN(CC3C(=O)N2)S(=O)(=O)C4=CC=CC=C4

DOS

IR

Vibrations