Geometry & MOs

Info

ID:	192275
PubChem CID:	78251080
Reduced:	O2H9C10 (2)
Stoich.:	A2B9C10 (2)
Weight, g/mol:	425.037822
ΔH_f, kcal/mol:	-110.1
Dipole, Da:	4.81
IP(EA), eV:	-9.66(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-[2-oxo-3-[4-oxo-3-prop-2-enyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-5-ylidene]indol-1-yl]acetate

Drug info:

PubChemData

Smile

CC1CCC2C(C1)OC=C(C2=O)C=C3C(=O)C4=CC=CC=C4C3=O

DOS

IR

Vibrations