Geometry & MOs

Info

ID:	88229
PubChem CID:	49902446
Reduced:	BrSN2O3C19H19 (1)
Stoich.:	ABC2D3E19F19 (1)
Weight, g/mol:	480.091056
ΔH_f, kcal/mol:	-60.93
Dipole, Da:	5.96
IP(EA), eV:	-8.27(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[3-[(Z)-[3-[(3-chlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2,5-dimethylpyrrol-1-yl]benzoate

Drug info:

PubChemData

Smile

CCN(CC)C1=CC=C(O1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)Br

DOS

IR

Vibrations