Geometry & MOs

Info

ID:

230949

PubChem CID:

87572310

Reduced:

F2S2N3O7H29C32 (1)

Stoich.:

A2B2C3D7E29F32 (1)

Weight, g/mol:

901.398596

ΔHf, kcal/mol:

-235.11

Dipole, Da:

4.91

IP(EA), eV:

 -9.4(-1.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2S)-4-carbamoyl-2-[2-[(2R,5R)-5-[1-[(2S)-4-carbamoyl-2-(carboxycarbamoyl)-3,3-dimethyl-2-bicyclo[3.2.2]nona-1(7),5,8-trienyl]pyrrolidin-2-yl]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-yl]pyrrolidin-1-yl]-3,3-dimethylbicyclo[3.2.2]nona-1(7),5,8-triene-2-carbonyl]carbamic acid

Drug info:

PubChemData

Smile

C1CN(C1)C(=O)C2=CC=C(C=C2)OC3=CN=C(S3)NC(=O)C(C4=CC=C(C=C4)S(=O)(=O)C5CCOCC5)OC6=C(C=C(C=C6)F)F

DOS

IR

Vibrations