Geometry & MOs

Info

ID:

185773

PubChem CID:

77345579

Reduced:

F4C45H58 (1)

Stoich.:

A4B45C58 (1)

Weight, g/mol:

502.286529

ΔHf, kcal/mol:

-209.82

Dipole, Da:

0.56

IP(EA), eV:

 -9.5(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-[6-methoxy-7-methyl-4-(methylamino)-3-oxo-1H-2-benzofuran-5-yl]ethylidene]-N,N-dimethyl-3-(thiepan-3-yl)heptanamide

Drug info:

PubChemData

Smile

CCCCCCCCCC1CCC(CC1)C2CCC(CC2)C3=C(C(=C(C=C3)C4=CC=C(C=C4)C5=C(C(=C(C=C5)CCC=CCC)F)F)F)F

DOS

IR

Vibrations