Geometry & MOs

Info

ID:	387319
PubChem CID:	134984915
Reduced:	N3F7H14C16 (1)
Stoich.:	A3B7C14D16 (1)
Weight, g/mol:	669.192112
ΔH_f, kcal/mol:	-225.03
Dipole, Da:	3.2
IP(EA), eV:	-9.6(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R,4S,5R)-4-[[[fluoro(trifluoromethyl)amino]-(trifluoromethyl)amino]-[(2S,3R,4S,5R)-3-hydroxy-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]amino]-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-3-ol

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)N(C(F)(F)F)N(C(F)(F)F)F

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)N(C(F)(F)F)N(C(F)(F)F)F

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):