Geometry & MOs

Info

ID:	311460
PubChem CID:	126592922
Reduced:	O2N4C13H18 (1)
Stoich.:	A2B4C13D18 (1)
Weight, g/mol:	282.132805
ΔH_f, kcal/mol:	-61.08
Dipole, Da:	9.17
IP(EA), eV:	-9.15(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S,8S)-4,8-diamino-9-(1H-imidazol-5-yl)-5,7-dioxononanoic acid

Drug info:

PubChemData

Smile

CC1C/C=C(/NC(=O)C2=C1NC=N2)\NC(=O)C(C)C

DOS

IR

Vibrations