Geometry & MOs

Info

ID:	87525
PubChem CID:	49895220
Reduced:	NSO4H17C20 (1)
Stoich.:	ABC4D17E20 (1)
Weight, g/mol:	397.098394
ΔH_f, kcal/mol:	-113.62
Dipole, Da:	3.82
IP(EA), eV:	-9.28(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[4-[(Z)-[3-[(3-methylphenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CN2C(=O)/C(=C/C3=CC=C(C=C3)OC(=O)C)/SC2=O

DOS

IR

Vibrations