Geometry & MOs

Info

ID:	86754
PubChem CID:	49888901
Reduced:	NSO5H21C26 (1)
Stoich.:	ABC5D21E26 (1)
Weight, g/mol:	458.130028
ΔH_f, kcal/mol:	-111.07
Dipole, Da:	4.53
IP(EA), eV:	-9.12(-1.05)
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-methylphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)OC2=C(C=CC=C2OC)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=CC=C4

DOS

IR

Vibrations