Geometry & MOs

Info

ID:	124129
PubChem CID:	50872824
Reduced:	NS2O3H11C15 (1)
Stoich.:	AB2C3D11E15 (1)
Weight, g/mol:	437.086784
ΔH_f, kcal/mol:	-49.84
Dipole, Da:	2.62
IP(EA), eV:	-8.66(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)SC2=CC=C(O2)/C=C/3\C(=O)NC(=O)S3

DOS

IR

Vibrations