Geometry & MOs

Info

ID:

163922

PubChem CID:

74380835

Reduced:

N2F5O7C22H27 (1)

Stoich.:

A2B5C7D22E27 (1)

Weight, g/mol:

468.174373

ΔHf, kcal/mol:

-516.24

Dipole, Da:

5.17

IP(EA), eV:

 -9.16(-0.74)

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]-1-ethyl-3-methylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)CC2=C(N(N=C2OC3(C(C(C(C(O3)CO)O)O)O)O)C(CF)CF)C(F)(F)F

DOS

IR

Vibrations