Geometry & MOs

Info

ID:	327314
PubChem CID:	126689498
Reduced:	N5O8C13H15 (1)
Stoich.:	A5B8C13D15 (1)
Weight, g/mol:	421.257671
ΔH_f, kcal/mol:	-199.49
Dipole, Da:	5.81
IP(EA), eV:	-10.26(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[(2S,3S)-2-[(4-amino-3-hydroxy-5-phenylpentanoyl)amino]-3-methylpentanoyl]amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

C1CC(=O)N(C1=O)OC(=O)CCCC(=O)ON2C(=O)CCC2=O.N=[N+]=[N-]

DOS

IR

Vibrations