Geometry & MOs

Info

ID:

185363

PubChem CID:

77289054

Reduced:

F3N4O4H13C18 (1)

Stoich.:

A3B4C4D13E18 (1)

Weight, g/mol:

660.355671

ΔHf, kcal/mol:

-158.04

Dipole, Da:

6.9

IP(EA), eV:

 -9.54(-1.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-benzyl-2-[[2-[2-methoxyethyl-[(2-methylcyclopropyl)methyl]amino]-6-[methylsulfonyl(propyl)amino]pyridin-4-yl]methoxy]oxolan-3-yl]-tert-butylcarbamic acid

Drug info:

PubChemData

Smile

C1C(C(CC2=C1N=C3N2C=CC(=C3)[N+](=O)[O-])OC(=O)N)C4=CC(=C(C=C4F)F)F

DOS

IR

Vibrations