Geometry & MOs

Info

ID:	339978
PubChem CID:	127261987
Reduced:	N3O4C24H31 (1)
Stoich.:	A3B4C24D31 (1)
Weight, g/mol:	453.262757
ΔH_f, kcal/mol:	-151.25
Dipole, Da:	5.09
IP(EA), eV:	-9.2(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-propylamino]-4-methyl-1-oxopentan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C(=O)N(C)[C@@H](CC1=CC=CC=C1)C(=O)N)NC(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations