Geometry & MOs

Info

ID:	339903
PubChem CID:	127261912
Reduced:	ON2C13H16 (2)
Stoich.:	AB2C13D16 (2)
Weight, g/mol:	395.275721
ΔH_f, kcal/mol:	-36.98
Dipole, Da:	3.39
IP(EA), eV:	-8.89(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-6-amino-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]-[2-(1H-imidazol-5-yl)ethyl]amino]hexanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N([C@@H](CCCCN)C(=O)N)C(=O)[C@H](CC2=CC=CC3=CC=CC=C32)N

DOS

IR

Vibrations