Geometry & MOs

Info

ID:	87570
PubChem CID:	49895569
Reduced:	BrFNSO2H13C18 (1)
Stoich.:	ABCDE2F13G18 (1)
Weight, g/mol:	488.140593
ΔH_f, kcal/mol:	-68.74
Dipole, Da:	2.56
IP(EA), eV:	-9.4(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations