Geometry & MOs

Info

ID:	87528
PubChem CID:	49895223
Reduced:	SN2O5H14C18 (1)
Stoich.:	AB2C5D14E18 (1)
Weight, g/mol:	475.00891
ΔH_f, kcal/mol:	-77.95
Dipole, Da:	2.93
IP(EA), eV:	-9.4(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[4-bromo-2-[(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=C(C(=CC=C3)[N+](=O)[O-])O)/SC2=O

DOS

IR

Vibrations