Geometry & MOs

Info

ID:	364102
PubChem CID:	127314048
Reduced:	SN3O3C13H19 (1)
Stoich.:	AB3C3D13E19 (1)
Weight, g/mol:	387.161663
ΔH_f, kcal/mol:	-97.08
Dipole, Da:	3.62
IP(EA), eV:	-9.93(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[4-(cyclohexylmethoxy)phenyl]sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine

Drug info:

PubChemData

Smile

C1CCOC(C1)CS(=O)(=O)N2CCC3=CN=CN=C3C2

DOS

IR

Vibrations