Geometry & MOs

Info

ID:	87581
PubChem CID:	49895623
Reduced:	BrNSCl2O4H22C27 (1)
Stoich.:	ABCD2E4F22G27 (1)
Weight, g/mol:	493.075072
ΔH_f, kcal/mol:	-91.89
Dipole, Da:	6.65
IP(EA), eV:	-8.9(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-methoxy-5-[(Z)-[3-[(4-methylphenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl] 2-chlorobenzoate

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC=C3C)Br)OCC4=CC(=C(C=C4)Cl)Cl

DOS

IR

Vibrations