Geometry & MOs

Info

ID:	302437
PubChem CID:	124361746
Reduced:	O3N5C21H23 (1)
Stoich.:	A3B5C21D23 (1)
Weight, g/mol:	447.194026
ΔH_f, kcal/mol:	-45.2
Dipole, Da:	4.52
IP(EA), eV:	-8.82(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](C(=O)NCC1=CC(=CC=C1)OC)NC(=O)N2CCN3C2=NC4=CC=CC=C43

DOS

IR

Vibrations