Geometry & MOs

Info

ID:

160813

PubChem CID:

57389856

Reduced:

FO5N6C25H27 (1)

Stoich.:

AB5C6D25E27 (1)

Weight, g/mol:

558.223826

ΔHf, kcal/mol:

-166.29

Dipole, Da:

7.92

IP(EA), eV:

 -9.63(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)C(=O)C(=O)NC12CCC(CC1)(CN3C2=NC(C(=O)C3=O)C(=O)NCC4=CC=C(C=C4)F)CC#N

DOS

IR

Vibrations