Geometry & MOs

Info

ID:

412348

PubChem CID:

135085238

Reduced:

N2O6C15H29 (1)

Stoich.:

A2B6C15D29 (1)

Weight, g/mol:

443.164303

ΔHf, kcal/mol:

-232.84

Dipole, Da:

3.79

IP(EA), eV:

0.0(0.0)

Spin(Sz, S2):

0.500000, 0.769743

Charge, e:

0

Chem-info

IUPAC name:

1-[(1S,2R)-2-(dimethylamino)-1,2-diphenylethyl]-3-[4-(trifluoromethyl)phenyl]thiourea

Drug info:

PubChemData

Smile

C1=C[N+](=CN1CCOCCOCCO)CCOCCOCCO

DOS

IR

Vibrations