Geometry & MOs

Info

ID:	312249
PubChem CID:	126603883
Reduced:	O5C17H18 (1)
Stoich.:	A5B17C18 (1)
Weight, g/mol:	289.21139
ΔH_f, kcal/mol:	-136.7
Dipole, Da:	2.06
IP(EA), eV:	-9.38(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[(2S,3R)-2-amino-3-methylpentanoyl]amino]-5-(diaminomethylamino)pentanoic acid

Drug info:

PubChemData

Smile

C=CCCC(=O)OC1=CC(=CC(=C1)OC(=O)CCCC#C)O

DOS

IR

Vibrations