Geometry & MOs

Info

ID:	88428
PubChem CID:	49903490
Reduced:	BrNSO4H16C19 (1)
Stoich.:	ABCD4E16F19 (1)
Weight, g/mol:	555.98592
ΔH_f, kcal/mol:	-95.67
Dipole, Da:	4.85
IP(EA), eV:	-9.17(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC=C3Br)OC

DOS

IR

Vibrations