Geometry & MOs

Info

ID:

321337

PubChem CID:

126665827

Reduced:

BrClN3O3H11C14 (1)

Stoich.:

ABC3D3E11F14 (1)

Weight, g/mol:

756.308088

ΔHf, kcal/mol:

-9.39

Dipole, Da:

3.07

IP(EA), eV:

 -9.64(-1.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[[3-[4-[[5-[(1S)-1-[[(R)-tert-butylsulfinyl]amino]-3-cyclopropyl-1-pyridin-3-ylpropyl]-2-fluorophenyl]carbamoyl]-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]carbamate

Drug info:

PubChemData

Smile

COCC1=NOC2=C1C(=O)N(N=C2Br)CC3=CC=C(C=C3)Cl

DOS

IR

Vibrations