Geometry & MOs

Info

ID:

214673

PubChem CID:

85083379

Reduced:

BrS2N5O5C21H26 (1)

Stoich.:

AB2C5D5E21F26 (1)

Weight, g/mol:

580.240973

ΔHf, kcal/mol:

-84.9

Dipole, Da:

5.55

IP(EA), eV:

 -9.14(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(1-hydroxyethyl)phenyl]-4-[10-methyl-5-oxo-7-[3-(trifluoromethyl)phenyl]-3,4,8,10,11-pentazatricyclo[7.3.0.02,6]dodecan-4-yl]benzamide

Drug info:

PubChemData

Smile

CC(C)(C(C(=O)NO)NS(=O)(=O)C1=CC=C(C=C1)OC2=CC=C(C=C2)Br)SCC3=NCN(N3)C

DOS

IR

Vibrations