Geometry & MOs

Info

ID:	161632
PubChem CID:	57392188
Reduced:	ClNC28H32 (1)
Stoich.:	ABC28D32 (1)
Weight, g/mol:	503.08343
ΔH_f, kcal/mol:	24.48
Dipole, Da:	1.64
IP(EA), eV:	-8.7(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[2,5-dimethyl-1-[3-(2H-tetrazol-5-yl)phenyl]pyrrol-3-yl]methylidene]-3-(3-nitrophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

C/C(=C\CN1CCC(CC1)CC2=CC=CC=C2)/C3=CC=C(C=C3)C4=CC=CC=C4.Cl

DOS

IR

Vibrations