Geometry & MOs

Info

ID:

419722

PubChem CID:

135108874

Reduced:

SO6N9C38H47 (1)

Stoich.:

AB6C9D38E47 (1)

Weight, g/mol:

356.221226

ΔHf, kcal/mol:

-166.65

Dipole, Da:

12.78

IP(EA), eV:

 -8.17(-1.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(dimethylamino)ethyl]-4-methoxy-N-[(2-methyl-1H-imidazol-5-yl)methyl]-3-prop-2-enylbenzamide

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N(CCN(CC(=O)N[C@H](C2=NC(=CS2)C(=O)N[C@@H](C(=O)N(CC(=O)N1)C)CC3=CNC4=CC=CC=C43)CC(C)C)C(=O)C5=C(C=CC=N5)C)C

DOS

IR

Vibrations