Geometry & MOs

Info

ID:

127262

PubChem CID:

50996608

Reduced:

OSF2N7H15C20 (1)

Stoich.:

ABC2D7E15F20 (1)

Weight, g/mol:

519.145551

ΔHf, kcal/mol:

0.33

Dipole, Da:

8.26

IP(EA), eV:

 -9.16(-1.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CSC2=NC(=C(C(=O)N12)C3=C(C=CC(=C3)F)F)C(C)NC4=NC=NC5=C4NC=N5

DOS

IR

Vibrations