Geometry & MOs

Info

ID:

215210

PubChem CID:

85084369

Reduced:

O4C9H17 (4)

Stoich.:

A4B9C17 (4)

Weight, g/mol:

756.16422

ΔHf, kcal/mol:

-798.21

Dipole, Da:

4.94

IP(EA), eV:

 -10.12(0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 8-(bromomethyl)-2-methyl-4-(4-morpholin-4-yl-4-oxobutanoyl)oxy-1-oxo-6-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCOCC1C(C(C(C(O1)O)O)O)OC2C(C(C(C(O2)CO)OC3C(C(C(C(O3)CO)O)O)O)O)O

DOS

IR

Vibrations