Geometry & MOs

Info

ID:

85223

PubChem CID:

49872605

Reduced:

N4O7C35H44 (1)

Stoich.:

A4B7C35D44 (1)

Weight, g/mol:

600.315914

ΔHf, kcal/mol:

-254.02

Dipole, Da:

1.89

IP(EA), eV:

 -8.53(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-acetyloxyethyl (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)CC4=C(OC(=O)O4)C5=CC=CC=C5)C(C)C)C)OC(C1=O)(C)C

DOS

IR

Vibrations