Geometry & MOs

Info

ID:

127264

PubChem CID:

50996620

Reduced:

FSO4N7C22H26 (1)

Stoich.:

ABC4D7E22F26 (1)

Weight, g/mol:

521.16568

ΔHf, kcal/mol:

-117.31

Dipole, Da:

6.34

IP(EA), eV:

 -9.02(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[(2S)-1-[[4-[2-cyclopropyl-4-[2,5-difluoro-3-(methanesulfonamido)phenyl]-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)NS(=O)(=O)C)F)NC(=O)OC

DOS

IR

Vibrations