Geometry & MOs

Info

ID:	340166
PubChem CID:	127262175
Reduced:	N5O5C28H39 (1)
Stoich.:	A5B5C28D39 (1)
Weight, g/mol:	438.239769
ΔH_f, kcal/mol:	-193.26
Dipole, Da:	3.52
IP(EA), eV:	-8.85(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-2-amino-N-[(3S)-7-amino-1-chloro-2-oxoheptan-3-yl]-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-3-methylpentanamide

Drug info:

PubChemData

Smile

CCCCCN([C@@H](CC1=CC=CC=C1)C(=O)N)C(=O)CNC(=O)CNC(=O)[C@H](CC2=CC=C(C=C2)O)NC

DOS

IR

Vibrations