Geometry & MOs

Info

ID:	320513
PubChem CID:	126661532
Reduced:	ClNOF4C22H22 (1)
Stoich.:	ABCD4E22F22 (1)
Weight, g/mol:	566.122852
ΔH_f, kcal/mol:	-240.94
Dipole, Da:	5.0
IP(EA), eV:	-9.75(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-[4-(1-aminoethylideneamino)phenyl]sulfonylpiperazin-1-yl]phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)/C(=C(\C)/C1=CC(=CC(=C1C)C2=CC(=C(C=C2)Cl)C(F)(F)F)F)/C

DOS

IR

Vibrations