Geometry & MOs

Info

ID:

7612

PubChem CID:

73492

Reduced:

NO9C28H37 (1)

Stoich.:

AB9C28D37 (1)

Weight, g/mol:

531.246832

ΔHf, kcal/mol:

-344.33

Dipole, Da:

2.51

IP(EA), eV:

 -8.61(-0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-O-[(2S,3S,6R)-4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.02,6.06,10.015,19]icosa-1(20),4,13,15(19)-tetraen-3-yl] 4-O-methyl (2R,3S)-2,3-dihydroxy-2-(3-methylbutyl)butanedioate

Drug info:

PubChemData

Smile

CC(C)CC[C@@]([C@@H](C(=O)OC)O)(C(=O)O[C@H]1[C@H]2C3=CC4=C(C=C3CCN5[C@@]2(CCC5)C=C1OC)OCO4)O

DOS

IR

Vibrations