Geometry & MOs

Info

ID:

127266

PubChem CID:

50996622

Reduced:

ClSO4N7C23H28 (1)

Stoich.:

ABC4D7E23F28 (1)

Weight, g/mol:

563.151779

ΔHf, kcal/mol:

-88.86

Dipole, Da:

3.6

IP(EA), eV:

 -8.83(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)NS(=O)(=O)C)Cl)C2=C(NC(=N2)C3CC3)C4=NC(=NC=C4)NC[C@H](C)NC(=O)OC

DOS

IR

Vibrations