Geometry & MOs

Info

ID:

162546

PubChem CID:

57395010

Reduced:

S2N3O5C12H13 (1)

Stoich.:

A2B3C5D12E13 (1)

Weight, g/mol:

484.35526

ΔHf, kcal/mol:

-192.2

Dipole, Da:

5.73

IP(EA), eV:

 -10.18(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R,4R,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bR)-3-formyloxy-4,6a,6b,8a,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picene-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NCC2C(=O)NC(=O)S2

DOS

IR

Vibrations