Geometry & MOs

Info

ID:	134984
PubChem CID:	51793466
Reduced:	ClN3O4C27H32 (1)
Stoich.:	AB3C4D27E32 (1)
Weight, g/mol:	520.249271
ΔH_f, kcal/mol:	-83.75
Dipole, Da:	8.38
IP(EA), eV:	-9.84(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(2-chloro-N-(2-phenylacetyl)anilino)-2-(4-methoxyphenyl)-N-(2,4,4-trimethylpentan-2-yl)acetamide

Drug info:

PubChemData

Smile

C1CCC(CC1)[C@H](C(=O)NC2CCCCC2)N(C3=CC=CC=C3Cl)C(=O)C4=CC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations