Geometry & MOs

Info

ID:

313998

PubChem CID:

126619455

Reduced:

N3O5C7H15 (1)

Stoich.:

A3B5C7D15 (1)

Weight, g/mol:

709.278801

ΔHf, kcal/mol:

-218.09

Dipole, Da:

2.16

IP(EA), eV:

-10.25(-0.62)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(3S,3'S,4'R,6'S,8'R,8'aR)-6'-[4-(2-hydroxyethoxy)phenyl]-N-(2-hydroxy-2-phenylethyl)-1',2-dioxo-3',4'-diphenylspiro[1H-indole-3,7'-4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine]-8'-carboxamide

Drug info:

PubChemData

Smile

C[N+](C)(CC(=O)[O-])C(=O)N.C(C(=O)O)N

DOS

IR

Vibrations