Geometry & MOs

Info

ID:	135012
PubChem CID:	51796912
Reduced:	ClN2O3C31H31 (1)
Stoich.:	AB2C3D31E31 (1)
Weight, g/mol:	448.1765
ΔH_f, kcal/mol:	-70.05
Dipole, Da:	2.67
IP(EA), eV:	-8.89(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-butyl-2-(3-chloro-N-(2-methoxyacetyl)anilino)-2-(3,4-dimethoxyphenyl)acetamide

Drug info:

PubChemData

Smile

COCC(=O)N(C1=CC(=CC=C1)Cl)[C@H](C2=CC3=CC=CC=C3C4=CC=CC=C42)C(=O)NC5CCCCC5

DOS

IR

Vibrations