Geometry & MOs

Info

ID:

163476

PubChem CID:

58000062

Reduced:

FSN4O5C24H25 (1)

Stoich.:

ABC4D5E24F25 (1)

Weight, g/mol:

637.307576

ΔHf, kcal/mol:

-184.92

Dipole, Da:

6.16

IP(EA), eV:

 -9.05(-1.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[2-[[4-[[(3,4-difluorophenyl)carbamoyl-[3-(4-hydroxypiperidin-1-yl)propyl]amino]methyl]benzoyl]amino]phenyl]carbamate

Drug info:

PubChemData

Smile

CN(C)C(=O)CN1CC2=C(C3=C(C(=C2C1=O)O)N=CC(=C3)CC4=CC=C(C=C4)F)N(C)S(=O)(=O)C

DOS

IR

Vibrations