Geometry & MOs

Info

ID:	44222
PubChem CID:	10502061
Reduced:	ClSO2N4C20H21 (1)
Stoich.:	ABC2D4E20F21 (1)
Weight, g/mol:	416.00165
ΔH_f, kcal/mol:	40.35
Dipole, Da:	3.74
IP(EA), eV:	-8.8(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Cl)N2C(=NNC2=S)COC3=C(C=C(C(=C3)C)N=O)C(C)C

DOS

IR

Vibrations