Geometry & MOs

Info

ID:	270141
PubChem CID:	103630153
Reduced:	ClOSN2C12H19 (1)
Stoich.:	ABCD2E12F19 (1)
Weight, g/mol:	279.158292
ΔH_f, kcal/mol:	-47.6
Dipole, Da:	2.85
IP(EA), eV:	-9.38(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]-4-methylpentanamide

Drug info:

PubChemData

Smile

CCCCC(C(=O)NCCC1=CC=C(S1)Cl)N

DOS

IR

Vibrations