Geometry & MOs

Info

ID:

329485

PubChem CID:

126737409

Reduced:

ClO2N5C30H32 (1)

Stoich.:

AB2C5D30E32 (1)

Weight, g/mol:

543.247953

ΔHf, kcal/mol:

7.18

Dipole, Da:

2.6

IP(EA), eV:

 -8.69(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-(difluoromethyl)-N-[5-[[[(2S)-3,3-dimethylbutan-2-yl]amino]methyl]-1-[3-[methyl(prop-2-enoyl)amino]cyclobutyl]benzimidazol-2-yl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

C[C@@H](C(C)(C)C)NCC1=CC2=C(C=C1)N(C(=N2)NC(=O)C3=CC(=CC=C3)Cl)C4=CC=CC(=C4)NC(=O)C=C

DOS

IR

Vibrations