Geometry & MOs

Info

ID:	87515
PubChem CID:	49895175
Reduced:	ClNSO3H20C25 (1)
Stoich.:	ABCD3E20F25 (1)
Weight, g/mol:	630.01301
ΔH_f, kcal/mol:	-46.53
Dipole, Da:	3.8
IP(EA), eV:	-9.13(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-bromo-6-methoxy-4-[(Z)-[3-[(3-methylphenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl] 4-acetamidobenzenesulfonate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2C(=O)/C(=C/C3=CC(=C(C=C3)OCC4=CC=CC=C4)Cl)/SC2=O

DOS

IR

Vibrations