Geometry & MOs

Info

ID:	364096
PubChem CID:	127314031
Reduced:	SN3O3C16H17 (1)
Stoich.:	AB3C3D16E17 (1)
Weight, g/mol:	329.119798
ΔH_f, kcal/mol:	-60.17
Dipole, Da:	7.29
IP(EA), eV:	-9.55(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine

Drug info:

PubChemData

Smile

CC1CC2=C(O1)C=CC(=C2)S(=O)(=O)N3CCC4=CN=CN=C4C3

DOS

IR

Vibrations