Geometry & MOs

Info

ID:	124877
PubChem CID:	50901081
Reduced:	ON2S3H14C16 (1)
Stoich.:	AB2C3D14E16 (1)
Weight, g/mol:	376.037391
ΔH_f, kcal/mol:	56.12
Dipole, Da:	2.77
IP(EA), eV:	-8.68(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CSC(=S)C1=C(NC(=O)NC1C2=CC=CC=C2)C3=CC=CS3

DOS

IR

Vibrations