Geometry & MOs

Info

ID:	84471
PubChem CID:	49866597
Reduced:	SO3N7C18H29 (1)
Stoich.:	AB3C7D18E29 (1)
Weight, g/mol:	299.201637
ΔH_f, kcal/mol:	-78.02
Dipole, Da:	2.5
IP(EA), eV:	-8.78(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-[(2S,3S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylpentanoyl]pyrrolidin-2-yl]boronic acid

Drug info:

PubChemData

Smile

C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CS/C(=C\CN)/CCCCCN)O)O)N

DOS

IR

Vibrations