Geometry & MOs

Info

ID:	339979
PubChem CID:	127261988
Reduced:	N3O4C26H35 (1)
Stoich.:	A3B4C26D35 (1)
Weight, g/mol:	431.184506
ΔH_f, kcal/mol:	-151.58
Dipole, Da:	4.89
IP(EA), eV:	-9.19(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[2-(N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]anilino)-2-oxoethyl]carbamate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations