Geometry & MOs

Info

ID:	88099
PubChem CID:	49901129
Reduced:	NSCl2O4H17C20 (1)
Stoich.:	ABC2D4E17F20 (1)
Weight, g/mol:	575.151492
ΔH_f, kcal/mol:	-114.96
Dipole, Da:	5.25
IP(EA), eV:	-8.71(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[2-[3-[(Z)-[3-(naphthalen-2-ylmethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]indol-1-yl]acetyl]amino]benzoate

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC(=C(C=C3)Cl)Cl)OC

DOS

IR

Vibrations