Geometry & MOs

Info

ID:

17405

PubChem CID:

496145

Reduced:

N4O6C43H52 (1)

Stoich.:

A4B6C43D52 (1)

Weight, g/mol:

720.388685

ΔHf, kcal/mol:

-211.47

Dipole, Da:

1.75

IP(EA), eV:

 -7.83(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 17-ethyl-5-(17-ethyl-6-methoxy-1-methoxycarbonyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-5-yl)-6-hydroxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate

Drug info:

PubChemData

Smile

CCC1CC2CC3(C1N(C2)CCC4=C3NC5=C4C=CC(=C5C6=C(C=CC7=C6NC8=C7CCN9CC1CC(C9C8(C1)C(=O)OC)CC)OC)O)C(=O)OC

DOS

IR

Vibrations