Geometry & MOs

Info

ID:

177557

PubChem CID:

76199443

Reduced:

FSN2O5C27H33 (1)

Stoich.:

ABC2D5E27F33 (1)

Weight, g/mol:

521.268985

ΔHf, kcal/mol:

-207.43

Dipole, Da:

6.96

IP(EA), eV:

 -9.4(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[8-[2-(2-fluorophenyl)ethynyl]-5-(1-hydroxypropan-2-yl)-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylcyclohexanecarboxamide

Drug info:

PubChemData

Smile

CC1CN(S(=O)(=O)C2=C(C=C(C=C2)C3=CCCC3)OC1CN(C)C(=O)C4=CC=C(C=C4)F)C(C)CO

DOS

IR

Vibrations