Geometry & MOs

Info

ID:	135080
PubChem CID:	51810404
Reduced:	Cl2N2O3C22H26 (1)
Stoich.:	A2B2C3D22E26 (1)
Weight, g/mol:	462.147698
ΔH_f, kcal/mol:	-125.89
Dipole, Da:	6.2
IP(EA), eV:	-9.36(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-2-(cyclohexylamino)-1-(2,6-dichlorophenyl)-2-oxoethyl]-4-hydroxy-N-propylbenzamide

Drug info:

PubChemData

Smile

CCCN([C@H](C1=C(C=CC=C1Cl)Cl)C(=O)NC(C)(C)C)C(=O)C2=CC=C(C=C2)O

DOS

IR

Vibrations