Geometry & MOs

Info

ID:

416019

PubChem CID:

135089024

Reduced:

N6O9C36H50 (1)

Stoich.:

A6B9C36D50 (1)

Weight, g/mol:

352.171082

ΔHf, kcal/mol:

-357.52

Dipole, Da:

7.3

IP(EA), eV:

 -8.5(-0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(dimethylamino)ethyl]-2,4-difluoro-3-methoxy-N-[(5-methyl-1H-imidazol-4-yl)methyl]benzamide

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](C(=O)N(CC(=O)NCCC[C@@H](C(=O)N[C@@H](C(=O)N1)C(C)C)NC(=O)CC2=CC(=C(C(=C2)OC)OC)OC)C)CC3=CC=CC=C3

DOS

IR

Vibrations