Geometry & MOs

Info

ID:

85224

PubChem CID:

49872606

Reduced:

N4O8C31H44 (1)

Stoich.:

A4B8C31D44 (1)

Weight, g/mol:

630.326479

ΔHf, kcal/mol:

-364.95

Dipole, Da:

5.79

IP(EA), eV:

 -8.96(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(=O)NCCN1C2=C(C=C(C(=C2)C(=O)N([C@@H]3CCCN(C3)C(=O)OC(C)OC(=O)C)C(C)C)C)OC4(C1=O)CCC4

DOS

IR

Vibrations