Geometry & MOs

Info

ID:

127211

PubChem CID:

50994509

Reduced:

BrClN2O3H12C15 (1)

Stoich.:

ABC2D3E12F15 (1)

Weight, g/mol:

475.247107

ΔHf, kcal/mol:

-73.43

Dipole, Da:

4.04

IP(EA), eV:

 -9.6(-1.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

19-cyclohexyl-10-[[2-(dimethylamino)acetyl]amino]-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=CC(=CC(=N1)Cl)C(=O)C2=CC(=CC(=C2)Br)NC(=O)OC

DOS

IR

Vibrations