Geometry & MOs

Info

ID:

329480

PubChem CID:

126737312

Reduced:

SF2O3N4H16C23 (1)

Stoich.:

AB2C3D4E16F23 (1)

Weight, g/mol:

625.253432

ΔHf, kcal/mol:

-81.94

Dipole, Da:

8.08

IP(EA), eV:

 -9.17(-1.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-(difluoromethyl)-N-[5-[[[(2R)-1-(2-methoxyethoxy)-3,3-dimethylbutan-2-yl]amino]methyl]-1-[3-(prop-2-enoylamino)phenyl]benzimidazol-2-yl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

C=CC(=O)NC1=CC(=CC=C1)N2C3=C(C=C(C=C3)C=O)N=C2NC(=O)C4=CC=C(S4)C(F)F

DOS

IR

Vibrations