Geometry & MOs

Info

ID:	135059
PubChem CID:	51806120
Reduced:	SN2O6C28H40 (1)
Stoich.:	AB2C6D28E40 (1)
Weight, g/mol:	400.308979
ΔH_f, kcal/mol:	-254.46
Dipole, Da:	2.22
IP(EA), eV:	-8.64(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[(1S)-2-(tert-butylamino)-1-cyclohexyl-2-oxoethyl]-2-phenyl-N-propylbutanamide

Drug info:

PubChemData

Smile

CCCC[C@@H](CC)C(=O)N(CCC)[C@H](C1=CC(=C(C=C1)O)OC)C(=O)NCS(=O)(=O)C2=CC=C(C=C2)C

DOS

IR

Vibrations