Geometry & MOs

Info

ID:	408761
PubChem CID:	135081529
Reduced:	BC16H31 (1)
Stoich.:	AB16C31 (1)
Weight, g/mol:	423.189317
ΔH_f, kcal/mol:	-78.41
Dipole, Da:	0.03
IP(EA), eV:	-9.18(0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S,5S)-4,5-dihydroxy-6-[[(1S)-1-[(3S)-8-hydroxy-1-oxo-3,4-dihydroisochromen-3-yl]-3-methylbutyl]amino]-3-methyl-6-oxohexanoic acid

Drug info:

PubChemData

Smile

B1(CC([C@@H]2CC[C@H]([C@H]1C2)C)C)C(C)(C)C(C)C

DOS

IR

Vibrations