Geometry & MOs

Info

ID:	195897
PubChem CID:	78745792
Reduced:	SCl2N2O3H14C17 (1)
Stoich.:	AB2C2D3E14F17 (1)
Weight, g/mol:	341.023705
ΔH_f, kcal/mol:	-71.53
Dipole, Da:	2.24
IP(EA), eV:	-9.08(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(NC(=S)N1)C2=CC=C(O2)C3=C(C(=CC=C3)Cl)Cl)C(=O)OC

DOS

IR

Vibrations