Geometry & MOs

Info

ID:	135062
PubChem CID:	51806136
Reduced:	N2O2C25H40 (1)
Stoich.:	A2B2C25D40 (1)
Weight, g/mol:	422.293328
ΔH_f, kcal/mol:	-129.81
Dipole, Da:	4.78
IP(EA), eV:	-9.11(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[(1R)-2-(tert-butylamino)-1-(2,4-dimethylphenyl)-2-oxoethyl]-2-phenyl-N-propylbutanamide

Drug info:

PubChemData

Smile

CCCN([C@@H](C1CCCCC1)C(=O)NC(C)(C)C)C(=O)[C@H](CC)C2=CC=CC=C2

DOS

IR

Vibrations