Geometry & MOs

Info

ID:	195893
PubChem CID:	78745788
Reduced:	N2S2O4H12C17 (1)
Stoich.:	A2B2C4D12E17 (1)
Weight, g/mol:	407.034269
ΔH_f, kcal/mol:	17.06
Dipole, Da:	5.24
IP(EA), eV:	-9.04(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)[N+](=O)[O-])C=CC(=O)OCC2=CSC(=N2)C3=CSC=C3

DOS

IR

Vibrations