Geometry & MOs

Info

ID:	56009
PubChem CID:	17403688
Reduced:	SO2N4C21H24 (1)
Stoich.:	AB2C4D21E24 (1)
Weight, g/mol:	356.051401
ΔH_f, kcal/mol:	-44.03
Dipole, Da:	6.6
IP(EA), eV:	-8.59(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[1-(4-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-1H-thieno[3,2-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCC(CC)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=NC=CC(=C3)C

DOS

IR

Vibrations