Geometry & MOs

Info

ID:	134823
PubChem CID:	51764808
Reduced:	O2N3C24H39 (1)
Stoich.:	A2B3C24D39 (1)
Weight, g/mol:	441.203049
ΔH_f, kcal/mol:	-96.5
Dipole, Da:	3.24
IP(EA), eV:	-8.08(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-butyl-2-(2-chloro-5-nitrophenyl)-2-[hexyl-(2-methoxyacetyl)amino]acetamide

Drug info:

PubChemData

Smile

CCCCCCN([C@H](C1=CC=C(C=C1)N(C)C)C(=O)NCCCC)C(=O)C(=C)C

DOS

IR

Vibrations