Geometry & MOs

Info

ID:

312233

PubChem CID:

126603745

Reduced:

F2O2N5C30H35 (1)

Stoich.:

A2B2C5D30E35 (1)

Weight, g/mol:

666.279981

ΔHf, kcal/mol:

-115.79

Dipole, Da:

3.33

IP(EA), eV:

 -9.0(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[[(2R)-1-[(E)-2-cyano-5-(3-methyloxetan-3-yl)pent-2-enoyl]pyrrolidin-2-yl]methyl]-2-[[5-(difluoromethyl)thiophene-2-carbonyl]amino]-N-(2,2-dimethylpropyl)benzimidazole-5-carboxamide

Drug info:

PubChemData

Smile

CC(C)CCCC(C)(C#N)C(=O)N1CCC[C@@H]1CN2C3=CC=CC=C3N=C2NC(=O)C4=CC=CC(=C4)C(F)F

DOS

IR

Vibrations