Geometry & MOs

Info

ID:

186963

PubChem CID:

77508171

Reduced:

F2N3O4C32H37 (1)

Stoich.:

A2B3C4D32E37 (1)

Weight, g/mol:

529.297428

ΔHf, kcal/mol:

-226.93

Dipole, Da:

7.07

IP(EA), eV:

 -8.89(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4,4-dimethyl-1-(6-methylsulfanyl-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)-1-oxopentan-2-yl]-4-(1-propan-2-ylpiperidin-4-yl)benzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)F)C2=C(C=CC=C2F)C(CCCNC(=O)O)(C3CCCN(C3)C(=O)C4=CC=C(C=C4)CNC)O

DOS

IR

Vibrations