Geometry & MOs

Info

ID:	234630
PubChem CID:	92303200
Reduced:	NSO3H17C18 (1)
Stoich.:	ABC3D17E18 (1)
Weight, g/mol:	327.092915
ΔH_f, kcal/mol:	-78.02
Dipole, Da:	3.55
IP(EA), eV:	-9.43(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4R)-3-(4-methylbenzoyl)-2-phenyl-1,3-thiazolidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)N2[C@H](CS[C@@H]2C3=CC=CC=C3)C(=O)O

DOS

IR

Vibrations