Geometry & MOs

Info

ID:	323151
PubChem CID:	126673018
Reduced:	ClSN2O3H19C22 (1)
Stoich.:	ABC2D3E19F22 (1)
Weight, g/mol:	397.082934
ΔH_f, kcal/mol:	-68.98
Dipole, Da:	8.93
IP(EA), eV:	-9.04(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[5-[5-(4-chlorobenzoyl)-1-methylpyrazol-4-yl]-1-methyl-2-oxopyridin-4-yl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=NC(C3=CC(=O)N(C=C32)C)CC(=O)O)C4=CC=C(C=C4)Cl)C

DOS

IR

Vibrations