Geometry & MOs

Info

ID:	364095
PubChem CID:	127313884
Reduced:	SN3O3C17H33 (1)
Stoich.:	AB3C3D17E33 (1)
Weight, g/mol:	331.099063
ΔH_f, kcal/mol:	-146.75
Dipole, Da:	5.04
IP(EA), eV:	-8.67(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine

Drug info:

PubChemData

Smile

CN(C1CCCCC1)S(=O)(=O)N2CCN(CC2)CC3CCOCC3

DOS

IR

Vibrations