Geometry & MOs

Info

ID:	307035
PubChem CID:	125264710
Reduced:	NO3C26H29 (1)
Stoich.:	AB3C26D29 (1)
Weight, g/mol:	447.194026
ΔH_f, kcal/mol:	-49.5
Dipole, Da:	3.96
IP(EA), eV:	-8.36(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[[(2R,3S)-2-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonylamino)-3-methylpentanoyl]amino]-4-methylsulfanylbutanoic acid

Drug info:

PubChemData

Smile

CC/C(=C(/C1=CC=C(C=C1)OCCNC)\C2=CC(=C(C=C2)O)OC)/C3=CC=CC=C3

DOS

IR

Vibrations