Geometry & MOs

Info

ID:

44877

PubChem CID:

10506297

Reduced:

SN2O5H26C30 (1)

Stoich.:

AB2C5D26E30 (1)

Weight, g/mol:

526.289031

ΔHf, kcal/mol:

-71.44

Dipole, Da:

5.66

IP(EA), eV:

 -9.0(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R)-N-[(5aR)-1,5-dioxo-5a,6,7,8-tetrahydropyrrolo[1,2-c][1,3]oxazepin-3-yl]-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxydodecanamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)COC(=O)C2=C3C[C@@H]([C@@H]3S[C@H]4N2C(=O)[C@H]4NC(=O)C5=CC=CC=C5)C6=CC=CC=C6

DOS

IR

Vibrations