Geometry & MOs

Info

ID:

433242

PubChem CID:

135173379

Reduced:

SO4N5C32H35 (1)

Stoich.:

AB4C5D32E35 (1)

Weight, g/mol:

430.207885

ΔHf, kcal/mol:

-50.32

Dipole, Da:

2.69

IP(EA), eV:

 -8.18(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N,N-dimethyl-3-[(14R)-14-methyl-3-thia-2-azatricyclo[13.3.1.04,9]nonadeca-1(18),4(9),5,7,15(19),16-hexaen-6-yl]benzamide

Drug info:

PubChemData

Smile

CN(C)C1=CC=CC(=C1)NC(=O)NC2=C(C(=CC=C2)NSC3=C(C=CC(=C3)C4=CC(=CC=C4)C(=O)N(C)C)OC)OC

DOS

IR

Vibrations