Geometry & MOs

Info

ID:	135138
PubChem CID:	51821650
Reduced:	N2O5C24H38 (1)
Stoich.:	A2B5C24D38 (1)
Weight, g/mol:	404.303893
ΔH_f, kcal/mol:	-239.41
Dipole, Da:	4.8
IP(EA), eV:	-9.17(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-tert-butyl-N-[(1S)-2-(butylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-2-ethylhexanamide

Drug info:

PubChemData

Smile

CCCCC/C=C\C(=O)N([C@H](C1=C(C=C(C=C1O)O)O)C(=O)NCCCC)C(C)(C)C

DOS

IR

Vibrations