Geometry & MOs

Info

ID:

17626

PubChem CID:

508370

Reduced:

N2O6C27H30 (1)

Stoich.:

A2B6C27D30 (1)

Weight, g/mol:

478.210387

ΔHf, kcal/mol:

-187.47

Dipole, Da:

5.81

IP(EA), eV:

 -9.32(-0.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6S)-3-benzyl-1-cyclopropyl-6-[(6S)-2,2-dimethyl-6-phenoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

CC1(OC2[C@H](C(OC2O1)[C@@H]3CC(=O)N(C(=O)N3C4CC4)CC5=CC=CC=C5)OC6=CC=CC=C6)C

DOS

IR

Vibrations