Geometry & MOs

Info

ID:

127265

PubChem CID:

50996621

Reduced:

SF2O4N7C22H25 (1)

Stoich.:

AB2C4D7E22F25 (1)

Weight, g/mol:

533.161201

ΔHf, kcal/mol:

-166.4

Dipole, Da:

5.83

IP(EA), eV:

 -9.1(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[(2S)-1-[[4-[4-[2-chloro-3-(methanesulfonamido)-5-methylphenyl]-2-cyclopropyl-1H-imidazol-5-yl]pyrimidin-2-yl]amino]propan-2-yl]carbamate

Drug info:

PubChemData

Smile

C[C@@H](CNC1=NC=CC(=N1)C2=C(N=C(N2)C3CC3)C4=C(C(=CC(=C4)F)NS(=O)(=O)C)F)NC(=O)OC

DOS

IR

Vibrations