Geometry & MOs

Info

ID:

185346

PubChem CID:

77288297

Reduced:

SN4O4C22H26 (1)

Stoich.:

AB4C4D22E26 (1)

Weight, g/mol:

643.13827

ΔHf, kcal/mol:

-140.26

Dipole, Da:

5.51

IP(EA), eV:

 -8.41(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-bromo-6-[[1-[[4-(dimethylamino)phenyl]methyl]piperidin-3-yl]amino]-4-iodo-3,4,4a,5,6,6a,7,8,9,10,10a,10b-dodecahydro-2H-benzo[c][1,6]naphthyridin-1-one

Drug info:

PubChemData

Smile

C1CCC(C1)C(CC=CC2=CC=C(C=C2)C3=CC(=C(S3)NC(=O)N)C(=O)N)(C(=O)O)N

DOS

IR

Vibrations