Geometry & MOs

Info

ID:	172909
PubChem CID:	75570466
Reduced:	ClNO2S2F3H13C22 (1)
Stoich.:	ABC2D2E3F13G22 (1)
Weight, g/mol:	395.039834
ΔH_f, kcal/mol:	-130.17
Dipole, Da:	7.71
IP(EA), eV:	-8.85(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[1-[(4-nitrophenyl)methyl]indol-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=CC=C(O2)C=C3C(=O)N(C(=S)S3)C4=CC=CC(=C4)C(F)(F)F)Cl

DOS

IR

Vibrations