Geometry & MOs

Info

ID:

215011

PubChem CID:

85083991

Reduced:

SN5O5C37H39 (1)

Stoich.:

AB5C5D37E39 (1)

Weight, g/mol:

665.268117

ΔHf, kcal/mol:

-134.36

Dipole, Da:

8.08

IP(EA), eV:

 -8.7(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-(benzenesulfonylmethyl)-4-[methyl(propan-2-yl)amino]cyclohexyl]-3-[(6-tert-butyl-2-fluorothieno[3,2-d]pyrimidin-4-yl)-(difluoromethyl)amino]pyrrolidin-2-one

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)O)C(=O)C(CC2=CC3=CC=CC=C3C=C2)NC(=O)C(CC4=CNC5=CC=CC=C54)NC(=O)C(CC6=CC=CS6)N

DOS

IR

Vibrations