Geometry & MOs

Info

ID:

160716

PubChem CID:

57389543

Reduced:

F2N6O6C29H34 (1)

Stoich.:

A2B6C6D29E34 (1)

Weight, g/mol:

623.250375

ΔHf, kcal/mol:

-287.38

Dipole, Da:

1.17

IP(EA), eV:

 -9.53(-1.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

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)C(=O)N5CC[C@@H](C5)F)F

DOS

IR

Vibrations