Geometry & MOs

Info

ID:

190987

PubChem CID:

78090905

Reduced:

NSO6C32H39 (1)

Stoich.:

ABC6D32E39 (1)

Weight, g/mol:

509.223594

ΔHf, kcal/mol:

-164.62

Dipole, Da:

2.94

IP(EA), eV:

 -8.29(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

prop-2-enyl 8-hydroxy-6-(2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl)-5-oxo-6-phenylsulfanyl-1,2,3,7-tetrahydropyrrolizine-1-carboxylate

Drug info:

PubChemData

Smile

CC1C=CC2CCCCC2C1C(=O)C3(CC4(C(CCN4C3=O)C(=O)OCC=C)OCCC=O)SC5=CC=CC=C5

DOS

IR

Vibrations