Geometry & MOs

Info

ID:

228555

PubChem CID:

87565280

Reduced:

SF3N5O7C41H46 (1)

Stoich.:

AB3C5D7E41F46 (1)

Weight, g/mol:

558.17534

ΔHf, kcal/mol:

-360.2

Dipole, Da:

4.92

IP(EA), eV:

 -8.89(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[[(1S)-1-[3,4-bis(difluoromethoxy)phenyl]-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide

Drug info:

PubChemData

Smile

CC(C(=O)NC(CCCCN(C(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)OC(=O)C(F)(F)F)C(=O)N4CSCC4C(=O)NC5CCCC6=CC=CC=C56)NC

DOS

IR

Vibrations