Geometry & MOs

Info

ID:	88169
PubChem CID:	49902143
Reduced:	BrSN2O2C23H25 (1)
Stoich.:	ABC2D2E23F25 (1)
Weight, g/mol:	617.97662
ΔH_f, kcal/mol:	-53.22
Dipole, Da:	8.07
IP(EA), eV:	-8.53(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-bromo-6-ethoxy-4-[(Z)-[3-[(2-nitrophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl] benzenesulfonate

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2CCCCC2)C)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=CC=C4Br

DOS

IR

Vibrations