Geometry & MOs

Info

ID:	228983
PubChem CID:	87566644
Reduced:	ClFSO3N4C26H34 (1)
Stoich.:	ABCD3E4F26G34 (1)
Weight, g/mol:	462.177727
ΔH_f, kcal/mol:	-103.87
Dipole, Da:	4.12
IP(EA), eV:	-8.77(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-[(3Z)-1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-3-(1H-indol-3-ylmethylidene)piperidin-4-yl] ethanethioate

Drug info:

PubChemData

Smile

CCOC(=O)CCCCN1C=C(N=N1)/C=C\2/CN(CCC2S)C(C3=CC=CC=C3F)C(=O)C4CC4.Cl

DOS

IR

Vibrations