Geometry & MOs

Info

ID:	157906
PubChem CID:	56458942
Reduced:	SN3O4H23C24 (1)
Stoich.:	AB3C4D23E24 (1)
Weight, g/mol:	456.171893
ΔH_f, kcal/mol:	-91.19
Dipole, Da:	6.59
IP(EA), eV:	-8.46(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dimethylphenyl)-3-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]-1,3-thiazolidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2CSCN2C(=O)C3=CC=C(C=C3)NC(=O)C4=CC=CO4)C

DOS

IR

Vibrations