Geometry & MOs

Info

ID:	88168
PubChem CID:	49902087
Reduced:	SN3O4H21C27 (1)
Stoich.:	AB3C4D21E27 (1)
Weight, g/mol:	472.08201
ΔH_f, kcal/mol:	10.03
Dipole, Da:	9.06
IP(EA), eV:	-8.67(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(2-bromophenyl)methyl]-5-[(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)/C=C\4/C(=O)N(C(=O)S4)CC5=CC=CC=C5[N+](=O)[O-]

DOS

IR

Vibrations