Geometry & MOs

Info

ID:	195891
PubChem CID:	78745786
Reduced:	FNCl2O3C15H16 (1)
Stoich.:	ABC2D3E15F16 (1)
Weight, g/mol:	412.120526
ΔH_f, kcal/mol:	-185.34
Dipole, Da:	4.12
IP(EA), eV:	-9.97(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-methyl-4-[4-(N-methylanilino)-3-nitrophenyl]-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CC(C(=O)NC1CCCC1)OC(=O)C2=CC(=C(C=C2Cl)Cl)F

DOS

IR

Vibrations