Geometry & MOs

Info

ID:

222927

PubChem CID:

85333190

Reduced:

SF2N5O5C31H41 (1)

Stoich.:

AB2C5D5E31F41 (1)

Weight, g/mol:

634.181488

ΔHf, kcal/mol:

-268.14

Dipole, Da:

9.01

IP(EA), eV:

 -9.29(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(4-fluorophenyl)-N,N,9-trimethyl-6,12-dioxo-9,10-dihydro-8H-[1,4]diazepino[2,1-g][1,7]naphthyridine-2-carboxamide

Drug info:

PubChemData

Smile

CCCCS(=O)(=O)CC(C(=O)NC(CC1=CC(=CC(=C1)F)F)C(CNCC2=CC=CC(=C2)CC)O)NC(=O)C3=NNC(=C3)C

DOS

IR

Vibrations