Geometry & MOs

Info

ID:	124876
PubChem CID:	50901071
Reduced:	O2C7H9 (2)
Stoich.:	A2B7C9 (2)
Weight, g/mol:	346.026827
ΔH_f, kcal/mol:	-156.85
Dipole, Da:	5.77
IP(EA), eV:	-9.86(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-oxo-4-phenyl-6-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carbodithioate

Drug info:

PubChemData

Smile

CCC[C@@H]1[C@H](OC(=O)O1)COCC2=CC=CC=C2

DOS

IR

Vibrations