Geometry & MOs

Info

ID:	278057
PubChem CID:	103833046
Reduced:	ON2C17H28 (1)
Stoich.:	AB2C17D28 (1)
Weight, g/mol:	257.210327
ΔH_f, kcal/mol:	-68.23
Dipole, Da:	2.99
IP(EA), eV:	-9.18(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-2-amino-N-[3-(tert-butylamino)-3-oxopropyl]-3-methylpentanamide

Drug info:

PubChemData

Smile

CCC(C)[C@@H](C(=O)NC(C)(C)CCC1=CC=CC=C1)N

DOS

IR

Vibrations