Geometry & MOs

Info

ID:	339994
PubChem CID:	127262003
Reduced:	N3O5C14H25 (1)
Stoich.:	A3B5C14D25 (1)
Weight, g/mol:	482.25292
ΔH_f, kcal/mol:	-253.85
Dipole, Da:	2.03
IP(EA), eV:	-9.66(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-acetamido-N-[(2S)-1-[[(2R)-1-amino-3-hydroxy-1-oxopropan-2-yl]-benzylamino]-1-oxo-3-phenylpropan-2-yl]-3-methylbutanamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N(C)[C@H](CO)C(=O)N

DOS

IR

Vibrations