Geometry & MOs

Info

ID:	87674
PubChem CID:	49896452
Reduced:	BrClNSO3H13C18 (1)
Stoich.:	ABCDE3F13G18 (1)
Weight, g/mol:	506.106706
ΔH_f, kcal/mol:	-72.4
Dipole, Da:	2.03
IP(EA), eV:	-9.47(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2C(=O)/C(=C/C3=C(C(=CC(=C3)Br)Cl)O)/SC2=O

DOS

IR

Vibrations