Geometry & MOs

Info

ID:

187483

PubChem CID:

77579943

Reduced:

BrO2N3C17H22 (2)

Stoich.:

AB2C3D17E22 (2)

Weight, g/mol:

531.309707

ΔHf, kcal/mol:

-143.04

Dipole, Da:

6.85

IP(EA), eV:

 -8.87(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

19-cyclohexyl-10-[[1-[2-(methylamino)ethyl]pyrrolidin-2-yl]methoxy]-8-oxa-12-azatetracyclo[10.7.0.02,7.013,18]nonadeca-1(19),2,4,6,13(18),14,16-heptaene-15-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1Br)CC(C2CC(CCN2C(=O)O)N3CCC4=CC=CC=C4NC3=O)C(=O)N5CCC(CC5)N6CCNCC6)Br

DOS

IR

Vibrations