Geometry & MOs

Info

ID:	195896
PubChem CID:	78745791
Reduced:	SN3O4C16H17 (1)
Stoich.:	AB3C4D16E17 (1)
Weight, g/mol:	396.010219
ΔH_f, kcal/mol:	-85.3
Dipole, Da:	5.1
IP(EA), eV:	-8.8(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[5-(2,3-dichlorophenyl)furan-2-yl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(NC(=S)N1)C2=CC(=C(C=C2)OCC#N)OC)C(=O)OC

DOS

IR

Vibrations