Geometry & MOs

Info

ID:	230935
PubChem CID:	87572280
Reduced:	N2C11H20 (1)
Stoich.:	A2B11C20 (1)
Weight, g/mol:	389.191048
ΔH_f, kcal/mol:	14.48
Dipole, Da:	2.58
IP(EA), eV:	-8.34(1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-5-[[(1S)-3-amino-1-carboxy-3-oxopropyl]amino]-4-[[(2S)-2,6-diaminohexanoyl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

C1CCN(CC1)C/C=C/N2CCC2

DOS

IR

Vibrations