Geometry & MOs

Info

ID:	86755
PubChem CID:	49888902
Reduced:	SN2O4H22C26 (1)
Stoich.:	AB2C4D22E26 (1)
Weight, g/mol:	472.145678
ΔH_f, kcal/mol:	-78.37
Dipole, Da:	4.88
IP(EA), eV:	-8.9(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[(Z)-(3-benzyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(2,4-dimethylphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)COC2=CC=CC(=C2)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=CC=C4

DOS

IR

Vibrations