Geometry & MOs

Info

ID:	46199
PubChem CID:	10523023
Reduced:	ClNO2C22H22 (1)
Stoich.:	ABC2D22E22 (1)
Weight, g/mol:	368.101706
ΔH_f, kcal/mol:	-37.12
Dipole, Da:	0.84
IP(EA), eV:	-8.99(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5R)-3-(4-methoxyphenyl)-5-methylsulfanyl-4-[(E)-2-phenylethenyl]-1,3-thiazolidine-5-carbonitrile

Drug info:

PubChemData

Smile

CN1CC[C@@]2(C[C@@H]1/C(=C\C3=CC=C(C=C3)Cl)/C(=O)C2)C4=CC(=CC=C4)O

DOS

IR

Vibrations