Geometry & MOs

Info

ID:

219591

PubChem CID:

85149387

Reduced:

O9C34H44 (1)

Stoich.:

A9B34C44 (1)

Weight, g/mol:

596.321

ΔHf, kcal/mol:

-293.3

Dipole, Da:

4.29

IP(EA), eV:

 -8.22(0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 2-[[1-(2-ethoxy-2-oxoethyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]amino]-6-[2-(phenylmethoxycarbonylamino)ethylamino]hexanoate

Drug info:

PubChemData

Smile

CC=CC1=CC(=C(C(=C1)OC)OC(C)CC2=CC(=C(C(=C2)OC)OC(C)CC3=CC(=C(C(=C3)OC)OC)OC)OC)OC

DOS

IR

Vibrations