Geometry & MOs

Info

ID:	320591
PubChem CID:	126661952
Reduced:	ON2F3C23H23 (1)
Stoich.:	AB2C3D23E23 (1)
Weight, g/mol:	429.129317
ΔH_f, kcal/mol:	-120.62
Dipole, Da:	5.7
IP(EA), eV:	-8.27(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[2-[2-aminoethyl(formyl)amino]ethyl-methylamino]phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

C#CCN(CC1=CC=C(C=C1)F)C2=CC=C(C=C2)NC(=O)C3CCC(CC3)(F)F

DOS

IR

Vibrations