Geometry & MOs

Info

ID:	364106
PubChem CID:	127314052
Reduced:	SN3O4C15H15 (1)
Stoich.:	AB3C4D15E15 (1)
Weight, g/mol:	372.125612
ΔH_f, kcal/mol:	-85.22
Dipole, Da:	5.6
IP(EA), eV:	-9.26(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-ylsulfonyl)-2-methyl-2,3-dihydroindol-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CN(CC2=NC=NC=C21)S(=O)(=O)C3=CC=CC4=C3OCCO4

DOS

IR

Vibrations