Geometry & MOs

Info

ID:	86962
PubChem CID:	49890257
Reduced:	BrSCl2N2O4H19C26 (1)
Stoich.:	ABC2D2E4F19G26 (1)
Weight, g/mol:	463.088972
ΔH_f, kcal/mol:	-94.05
Dipole, Da:	4.05
IP(EA), eV:	-9.11(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)COC2=C(C=C(C=C2)/C=C\3/C(=O)N(C(=O)S3)CC4=C(C=C(C=C4)Cl)Cl)Br

DOS

IR

Vibrations