Geometry & MOs

Info

ID:	87577
PubChem CID:	49895595
Reduced:	BrSN3O3C28H28 (1)
Stoich.:	ABC3D3E28F28 (1)
Weight, g/mol:	472.145678
ΔH_f, kcal/mol:	-55.15
Dipole, Da:	5.3
IP(EA), eV:	-8.66(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=O)/C(=C/C3=C(N(C(=C3)C)C4=CC(=C(C=C4)N5CCOCC5)Br)C)/SC2=O

DOS

IR

Vibrations