Geometry & MOs

Info

ID:	54677
PubChem CID:	17389084
Reduced:	SN3O4H13C16 (1)
Stoich.:	AB3C4D13E16 (1)
Weight, g/mol:	553.0307
ΔH_f, kcal/mol:	-98.12
Dipole, Da:	5.51
IP(EA), eV:	-8.8(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[2-[5-[2-(4-bromophenyl)-2-oxoethyl]-3-cyano-4,6-dimethylpyridin-2-yl]sulfanylacetyl]amino]-2-hydroxybenzoic acid

Drug info:

PubChemData

Smile

CC1=NC(=C(C=C1)C#N)SCC(=O)NC2=CC(=C(C=C2)O)C(=O)O

DOS

IR

Vibrations