Geometry & MOs

Info

ID:	87332
PubChem CID:	49894107
Reduced:	NSO2F3H14C19 (1)
Stoich.:	ABC2D3E14F19 (1)
Weight, g/mol:	539.151492
ΔH_f, kcal/mol:	-185.78
Dipole, Da:	2.91
IP(EA), eV:	-9.28(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=O)/C(=C/C3=CC=CC=C3C(F)(F)F)/SC2=O

DOS

IR

Vibrations