Geometry & MOs

Info

ID:	87463
PubChem CID:	49894799
Reduced:	SN2O7H20C22 (1)
Stoich.:	AB2C7D20E22 (1)
Weight, g/mol:	499.136591
ΔH_f, kcal/mol:	-153.37
Dipole, Da:	7.09
IP(EA), eV:	-9.24(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-fluorophenyl)-2-[3-[(Z)-[3-[(3-methylphenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]indol-1-yl]acetamide

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1[N+](=O)[O-])/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC=C3C)OC(=O)C

DOS

IR

Vibrations