Geometry & MOs

Info

ID:	173499
PubChem CID:	75645587
Reduced:	SN2O2C15H19 (1)
Stoich.:	AB2C2D15E19 (1)
Weight, g/mol:	389.095989
ΔH_f, kcal/mol:	-25.53
Dipole, Da:	7.17
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.893140
Charge, e:	-1

Chem-info

IUPAC name:

5-anilino-4-ethoxycarbonyl-2-(indol-3-ylidenemethyl)thiophen-3-olate

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)SC2C(=O)C3CCC2(C3(C)C)C)[O-]

DOS

IR

Vibrations