Geometry & MOs

Info

ID:

163832

PubChem CID:

74380522

Reduced:

SF3N3O3H22C27 (1)

Stoich.:

AB3C3D3E22F27 (1)

Weight, g/mol:

473.152161

ΔHf, kcal/mol:

-165.28

Dipole, Da:

4.45

IP(EA), eV:

 -9.19(-1.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[2-[2-amino-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]methyl]-1,3-benzoxazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=C(S1)C2=CC=CC=C2C(F)(F)F)C(=O)N3C(CC4C3C4)CNC(=O)C5=C6C=COC6=CC=C5

DOS

IR

Vibrations