Geometry & MOs

Info

ID:	134712
PubChem CID:	51743488
Reduced:	N2O4C27H38 (1)
Stoich.:	A2B4C27D38 (1)
Weight, g/mol:	472.293722
ΔH_f, kcal/mol:	-164.06
Dipole, Da:	1.78
IP(EA), eV:	-9.05(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[(1S)-2-(tert-butylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-2-ethyl-N-(furan-2-ylmethyl)hexanamide

Drug info:

PubChemData

Smile

CCCC[C@H](CC)C(=O)N(CC1=CC=CO1)[C@@H](C2=CC=CC=C2O)C(=O)NC3CCCCC3

DOS

IR

Vibrations