Geometry & MOs

Info

ID:	134711
PubChem CID:	51743227
Reduced:	NO2C15H22 (2)
Stoich.:	AB2C15D22 (2)
Weight, g/mol:	454.283158
ΔH_f, kcal/mol:	-159.22
Dipole, Da:	5.17
IP(EA), eV:	-8.92(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[(1S)-2-(cyclohexylamino)-1-(2-hydroxyphenyl)-2-oxoethyl]-2-ethyl-N-(furan-2-ylmethyl)hexanamide

Drug info:

PubChemData

Smile

CCCCC/C=C\C(=O)N(CC1=CC=CO1)[C@H](C2=CC=C(C=C2)OC)C(=O)NC(C)(C)CC(C)(C)C

DOS

IR

Vibrations