Geometry & MOs

Info

ID:	135291
PubChem CID:	51846530
Reduced:	NOC13H17 (2)
Stoich.:	ABC13D17 (2)
Weight, g/mol:	458.256943
ΔH_f, kcal/mol:	-63.44
Dipole, Da:	5.85
IP(EA), eV:	-9.28(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[(1S)-2-(tert-butylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N,2-diphenylbutanamide

Drug info:

PubChemData

Smile

CCCCC/C=C\C(=O)N(C1=CC=CC=C1)[C@@H](C2=CC=CC=C2)C(=O)NC(C)(C)C

DOS

IR

Vibrations