Geometry & MOs

Info

ID:

186913

PubChem CID:

77504584

Reduced:

SO2N4C23H32 (1)

Stoich.:

AB2C4D23E32 (1)

Weight, g/mol:

703.310495

ΔHf, kcal/mol:

-49.0

Dipole, Da:

2.38

IP(EA), eV:

 -8.45(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-O-(2-methoxyethyl) 5-O-propan-2-yl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate;3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol

Drug info:

PubChemData

Smile

CC1C(N=C(S1)C2=CC3=C(N2)C(=CC=C3)N(C)C4CCOCC4)C(C5CCCN5)O

DOS

IR

Vibrations