Geometry & MOs

Info

ID:	188575
PubChem CID:	77736520
Reduced:	SN3O4H15C19 (1)
Stoich.:	AB3C4D15E19 (1)
Weight, g/mol:	466.075406
ΔH_f, kcal/mol:	-71.14
Dipole, Da:	4.19
IP(EA), eV:	-9.68(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-[6-[3-(4-chlorophenyl)prop-1-ynyl]-2,4-dioxo-4a,7a-dihydro-1H-thieno[2,3-d]pyrimidin-3-yl]ethyl]benzoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(=O)C2=CC3C(S2)NC(=O)N(C3=O)C4=CC=NC=C4

DOS

IR

Vibrations