Geometry & MOs

Info

ID:	319006
PubChem CID:	126654107
Reduced:	O2N3C6H11 (1)
Stoich.:	A2B3C6D11 (1)
Weight, g/mol:	516.433619
ΔH_f, kcal/mol:	-31.09
Dipole, Da:	2.41
IP(EA), eV:	-10.02(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-N-[3-[4-[3-[[(2S)-2-amino-5-(diaminomethylamino)pentanoyl]amino]propyl]piperazin-1-yl]propyl]-5-(diaminomethylamino)pentanamide

Drug info:

PubChemData

Smile

CCC(=O)CC(CN=[N+]=[N-])O

DOS

IR

Vibrations