Geometry & MOs

Info

ID:	88344
PubChem CID:	49902994
Reduced:	BrNSO3H16C20 (1)
Stoich.:	ABCD3E16F20 (1)
Weight, g/mol:	649.95838
ΔH_f, kcal/mol:	-38.59
Dipole, Da:	5.15
IP(EA), eV:	-9.13(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-bromo-4-[(Z)-[3-[(3-chlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-6-methoxyphenyl] 4-acetamidobenzenesulfonate

Drug info:

PubChemData

Smile

C=CCOC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)Br

DOS

IR

Vibrations