Geometry & MOs

Info

ID:

424853

PubChem CID:

135124206

Reduced:

SF3O4N5C30H30 (1)

Stoich.:

AB3C4D5E30F30 (1)

Weight, g/mol:

419.116732

ΔHf, kcal/mol:

-187.88

Dipole, Da:

6.8

IP(EA), eV:

 -9.14(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (3S)-3-[4-chloro-3-(chloromethyl)phenyl]-3-(1,4-dimethylbenzotriazol-5-yl)-2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

C[C@H]1CC2=C(C=C(C=C2)C(F)(F)F)S(=O)(=O)N(C1)CC3=CC(=CC=C3)N4C=CC(=C4[C@@H]5C[C@H]5C6=CN(N=N6)C)C(=O)OC

DOS

IR

Vibrations