Geometry & MOs

Info

ID:

85196

PubChem CID:

49872292

Reduced:

NO3C22H31 (1)

Stoich.:

AB3C22D31 (1)

Weight, g/mol:

612.279529

ΔHf, kcal/mol:

-133.71

Dipole, Da:

3.87

IP(EA), eV:

 -9.35(0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl (3R)-3-[[7-methyl-3-oxo-4-[2-(propanoylamino)ethyl]spiro[1,4-benzoxazine-2,1'-cyclopropane]-6-carbonyl]-propan-2-ylamino]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

C/C=C(\C)/C1C(=CC2CC(CC34C2C1(C(=O)C(C3NC(=O)O4)C)C)C)C

DOS

IR

Vibrations