Geometry & MOs

Info

ID:

434784

PubChem CID:

135175705

Reduced:

ClSF2N5O5C40H46 (1)

Stoich.:

ABC2D5E5F40G46 (1)

Weight, g/mol:

475.228263

ΔHf, kcal/mol:

-263.91

Dipole, Da:

4.45

IP(EA), eV:

 -9.32(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[1-[2-amino-3,3-difluoro-3-(3-phenoxyphenyl)propanoyl]piperidin-4-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1CC2CCC(C1)N2C(=O)C(C(C3=CC=C(C=C3)C4=CC=C(C=C4)Cl)(F)F)NS(=O)(=O)C5=CC6=C(C=C5)N(N=C6)CC7CCCC7

DOS

IR

Vibrations