Geometry & MOs

Info

ID:	134639
PubChem CID:	51733129
Reduced:	ClN2O3C28H37 (1)
Stoich.:	AB2C3D28E37 (1)
Weight, g/mol:	484.249271
ΔH_f, kcal/mol:	-143.86
Dipole, Da:	2.71
IP(EA), eV:	-9.18(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-(3-chlorophenyl)-N-[(1R)-2-(cyclohexylamino)-1-(3-hydroxyphenyl)-2-oxoethyl]-2-ethylhexanamide

Drug info:

PubChemData

Smile

CCCC[C@H](CC)C(=O)N(C1=CC(=CC=C1)Cl)[C@@H](C2=CC(=CC=C2)O)C(=O)NC3CCCCC3

DOS

IR

Vibrations