Geometry & MOs

Info

ID:	135000
PubChem CID:	51795710
Reduced:	ClN2O3C21H31 (1)
Stoich.:	AB2C3D21E31 (1)
Weight, g/mol:	394.202321
ΔH_f, kcal/mol:	-155.4
Dipole, Da:	5.57
IP(EA), eV:	-9.61(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(3-chloro-N-(2-hydroxyacetyl)anilino)-N-cyclohexylheptanamide

Drug info:

PubChemData

Smile

CCCCC[C@@H](C(=O)NC1CCCCC1)N(C2=CC(=CC=C2)Cl)C(=O)CO

DOS

IR

Vibrations