Geometry & MOs

Info

ID:

186765

PubChem CID:

77480356

Reduced:

SO6N10C39H48 (1)

Stoich.:

AB6C10D39E48 (1)

Weight, g/mol:

613.301267

ΔHf, kcal/mol:

-158.89

Dipole, Da:

7.74

IP(EA), eV:

 -8.71(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[3-methyl-1-[2-[5-[7-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)dibenzo-p-dioxin-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]oxybutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N1CCCC1C2=NC=C(N2)C3=CC=C(C=C3)C4=CC5=C(N4)SC(=N5)C6=CN=C(N6)C7CCCN7C(=O)C(C(C)C)NC(=O)OC)NC(=O)OC

DOS

IR

Vibrations