Geometry & MOs

Info

ID:

85175

PubChem CID:

49872208

Reduced:

N4O8C31H46 (1)

Stoich.:

A4B8C31D46 (1)

Weight, g/mol:

684.373429

ΔHf, kcal/mol:

-382.28

Dipole, Da:

11.6

IP(EA), eV:

 -8.82(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-cyclohexyloxycarbonyloxyethyl (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(OC(=O)C)OC(=O)N1CCC[C@H](C1)N(C(C)C)C(=O)C2=CC3=C(C=C2C)OC(C(=O)N3CCNC(=O)CC)(C)C

DOS

IR

Vibrations