Geometry & MOs

Info

ID:	147982
PubChem CID:	53787644
Reduced:	Cl2N2O3H18C25 (1)
Stoich.:	A2B2C3D18E25 (1)
Weight, g/mol:	483.143962
ΔH_f, kcal/mol:	-63.02
Dipole, Da:	0.94
IP(EA), eV:	-8.46(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-O-ethyl 3-O-methyl 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1,6-dimethyl-4-[3-(trifluoromethyl)phenyl]-4H-pyridine-3,5-dicarboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2Cl)NC(=O)C3=CC4=CC=CC=C4C=C3O)Cl

DOS

IR

Vibrations