Geometry & MOs

Info

ID:	310121
PubChem CID:	126574906
Reduced:	Cl2N2O2H14C19 (1)
Stoich.:	A2B2C2D14E19 (1)
Weight, g/mol:	502.057705
ΔH_f, kcal/mol:	16.86
Dipole, Da:	3.17
IP(EA), eV:	-8.61(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-[(E)-1-[(4-chlorobenzoyl)amino]-3-ethoxy-3-oxoprop-1-en-2-yl]sulfanyl-2-(trifluoromethyl)pyridine-3-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)/C=C\3/C(NC4=CC=CC=C43)O

DOS

IR

Vibrations