Geometry & MOs

Info

ID:

327031

PubChem CID:

126688894

Reduced:

SF3N5O6H14C19 (1)

Stoich.:

AB3C5D6E14F19 (1)

Weight, g/mol:

767.330597

ΔHf, kcal/mol:

-210.96

Dipole, Da:

5.82

IP(EA), eV:

 -9.65(-1.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-(cyclopropylmethyl)-N-[[4-fluoro-3-[[2-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-5-(trifluoromethyl)pyrazole-3-carbonyl]amino]phenyl]-(4-methoxyphenyl)methyl]carbamate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C#CC2=C3C(=NC=N2)N(C=N3)[C@H]4[C@@H]([C@@]5([C@@H](C5OS(=O)(=O)N)O4)O)O)C(F)(F)F

DOS

IR

Vibrations