Geometry & MOs

Info

ID:	146566
PubChem CID:	53705870
Reduced:	N2O4C15H18 (1)
Stoich.:	A2B4C15D18 (1)
Weight, g/mol:	512.285484
ΔH_f, kcal/mol:	-46.74
Dipole, Da:	3.08
IP(EA), eV:	-8.95(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-2-[[(2R)-2-[[(2R,3S)-2-[[(2R)-2-amino-3-sulfanylpropyl]amino]-3-methylpentyl]-benzylamino]propanoyl]amino]-4-methylsulfanylbutanoate

Drug info:

PubChemData

Smile

C1COCCN1CCC(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-]

DOS

IR

Vibrations