Geometry & MOs

Info

ID:	171097
PubChem CID:	75328095
Reduced:	BrClSN2O4H20C26 (1)
Stoich.:	ABCD2E4F20G26 (1)
Weight, g/mol:	460.072907
ΔH_f, kcal/mol:	-87.97
Dipole, Da:	2.23
IP(EA), eV:	-9.0(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[[3-[(2-nitrophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl] benzoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)COC2=CC=C(C=C2)C=C3C(=O)N(C(=O)S3)CC4=CC=CC=C4Br)Cl

DOS

IR

Vibrations