Geometry & MOs

Info

ID:	7640
PubChem CID:	73587
Reduced:	O2N3C7H12 (2)
Stoich.:	A2B3C7D12 (2)
Weight, g/mol:	340.185903
ΔH_f, kcal/mol:	-152.6
Dipole, Da:	6.04
IP(EA), eV:	-9.33(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-6-amino-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoic acid

Drug info:

PubChemData

Smile

C1=C(NC=N1)C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)CN

DOS

IR

Vibrations