Geometry & MOs

Info

ID:

160811

PubChem CID:

57389852

Reduced:

FN6O7C28H35 (1)

Stoich.:

AB6C7D28E35 (1)

Weight, g/mol:

543.212926

ΔHf, kcal/mol:

-287.45

Dipole, Da:

3.06

IP(EA), eV:

 -9.62(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-[[2-(dimethylamino)-2-oxoacetyl]amino]-4-[(4-fluorophenyl)methylcarbamoyl]-5,6-dioxo-3,7-diazatricyclo[7.2.2.02,7]tridec-2-en-9-yl]methyl acetate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)CNC(=O)C2C(=O)C(=O)N3CC4(CCC(C3=N2)(CC4)NC(=O)C(=O)N(C)C)COC(=O)N(C)C)F

DOS

IR

Vibrations