Geometry & MOs

Info

ID:	238637
PubChem CID:	92764006
Reduced:	ClSN2O3H17C18 (1)
Stoich.:	ABC2D3E17F18 (1)
Weight, g/mol:	382.059898
ΔH_f, kcal/mol:	-87.31
Dipole, Da:	6.07
IP(EA), eV:	-8.78(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[3-cyano-6-(4-methoxyphenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanylpropanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1Cl)OC)N2C(=O)C[C@H](C2=O)SC3=CC=C(C=C3)N

DOS

IR

Vibrations