Geometry & MOs

Info

ID:	88368
PubChem CID:	49903069
Reduced:	NSO4H25C30 (1)
Stoich.:	ABC4D25E30 (1)
Weight, g/mol:	513.020449
ΔH_f, kcal/mol:	-61.32
Dipole, Da:	2.35
IP(EA), eV:	-8.8(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(Z)-[3-[(3-chlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-6-methoxyphenyl] 2-chlorobenzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OCCOC2=CC=CC(=C2)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=CC5=CC=CC=C54

DOS

IR

Vibrations