Geometry & MOs

Info

ID:	88445
PubChem CID:	49903552
Reduced:	BrSN2O2H23C25 (1)
Stoich.:	ABC2D2E23F25 (1)
Weight, g/mol:	602.91737
ΔH_f, kcal/mol:	-25.03
Dipole, Da:	10.8
IP(EA), eV:	-8.53(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N2C(=CC(=C2C)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=C(C=C4)Br)C)C

DOS

IR

Vibrations