Geometry & MOs

Info

ID:	134974
PubChem CID:	51791730
Reduced:	ClN3O3C27H34 (1)
Stoich.:	AB3C3D27E34 (1)
Weight, g/mol:	483.22887
ΔH_f, kcal/mol:	-118.89
Dipole, Da:	2.62
IP(EA), eV:	-9.22(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(N-[(1S)-2-(butylamino)-1-cyclohexyl-2-oxoethyl]-2-chloroanilino)-2-oxoethyl]benzamide

Drug info:

PubChemData

Smile

CCCCNC(=O)[C@@H](C1CCCCC1)N(C2=CC=CC=C2Cl)C(=O)CNC(=O)C3=CC=CC=C3

DOS

IR

Vibrations