Geometry & MOs

Info

ID:

163827

PubChem CID:

74380516

Reduced:

F2N2O7C21H28 (1)

Stoich.:

A2B2C7D21E28 (1)

Weight, g/mol:

468.174373

ΔHf, kcal/mol:

-372.22

Dipole, Da:

2.69

IP(EA), eV:

 -9.1(0.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)CC2=C(N(N=C2OC3(C(C(C(C(O3)CO)O)O)O)O)C(C)C)C)F)F

DOS

IR

Vibrations