Geometry & MOs

Info

ID:	134979
PubChem CID:	51792273
Reduced:	ClN3O4C26H26 (1)
Stoich.:	AB3C4D26E26 (1)
Weight, g/mol:	467.101476
ΔH_f, kcal/mol:	-38.85
Dipole, Da:	6.52
IP(EA), eV:	-9.42(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-tert-butyl-2-(2-chloro-N-(2-methoxyacetyl)anilino)-2-(2-chloro-5-nitrophenyl)acetamide

Drug info:

PubChemData

Smile

CCCCNC(=O)[C@@H](C1=CC=C(C=C1)C)N(C2=CC=CC=C2Cl)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations