Geometry & MOs

Info

ID:	68193
PubChem CID:	46507941
Reduced:	SO2N4C18H20 (1)
Stoich.:	AB2C4D18E20 (1)
Weight, g/mol:	486.133732
ΔH_f, kcal/mol:	-1.49
Dipole, Da:	8.22
IP(EA), eV:	-8.66(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-(1-benzylpyrazol-4-yl)-4-methyl-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C2C(=C(NC(=S)N2)C)C(=O)NC3=NOC(=C3)C

DOS

IR

Vibrations