Geometry & MOs

Info

ID:

186316

PubChem CID:

77420237

Reduced:

NO9C18H27 (1)

Stoich.:

AB9C18D27 (1)

Weight, g/mol:

734.354031

ΔHf, kcal/mol:

-389.62

Dipole, Da:

6.87

IP(EA), eV:

 -10.09(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[3-[5-[4-[4-[2-[6-(methoxycarbonylamino)-7-methyl-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-7-methyl-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizin-6-yl]carbamate

Drug info:

PubChemData

Smile

CCOC1C(C(OC(=C1CC=C)C(=O)O)C(C(CO)O)OC(=O)C)NC(=O)C

DOS

IR

Vibrations