Geometry & MOs

Info

ID:	139050
PubChem CID:	52465019
Reduced:	OF2N4C20H23 (1)
Stoich.:	AB2C4D20E23 (1)
Weight, g/mol:	394.135601
ΔH_f, kcal/mol:	-38.86
Dipole, Da:	4.05
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754077
Charge, e:	1

Chem-info

IUPAC name:

[(1R)-1-(2-chlorophenyl)-2-[4-(thiophene-3-carbonylamino)butanoylamino]ethyl]-dimethylazanium

Drug info:

PubChemData

Smile

CC[NH+](CC)CCN1C2=CC=CC=C2N=C1NC(=O)C3=CC(=C(C=C3)F)F

DOS

IR

Vibrations