Geometry & MOs

Info

ID:

85176

PubChem CID:

49872209

Reduced:

N4O9C36H52 (1)

Stoich.:

A4B9C36D52 (1)

Weight, g/mol:

628.347215

ΔHf, kcal/mol:

-422.87

Dipole, Da:

8.12

IP(EA), eV:

 -8.9(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-(2-cyclopropylacetyl)oxyethyl (3R)-3-[propan-2-yl-[2,2,7-trimethyl-3-oxo-4-[2-(propanoylamino)ethyl]-1,4-benzoxazine-6-carbonyl]amino]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)OC4CCCCC4)C(C)C)C)OC5(C1=O)CCC5

DOS

IR

Vibrations