Geometry & MOs

Info

ID:

321259

PubChem CID:

126665623

Reduced:

O3F4N6H26C30 (1)

Stoich.:

A3B4C6D26E30 (1)

Weight, g/mol:

594.200251

ΔHf, kcal/mol:

-171.46

Dipole, Da:

6.83

IP(EA), eV:

 -9.01(-1.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-[5-[[5-[(cyclopropylmethylamino)-phenylmethyl]-2-fluorophenyl]carbamoyl]-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-methanimidoylcarbamic acid

Drug info:

PubChemData

Smile

CN(C1CC1)C(C2=CC=CC=C2)C3=CC(=C(C=C3)F)NC(=O)C4=CC(=NN4C5=CC=CC(=C5)/C(=N/C(=O)O)/N)C(F)(F)F

DOS

IR

Vibrations