Geometry & MOs

Info

ID:

143637

PubChem CID:

53240014

Reduced:

ClSO2N4C21H21 (1)

Stoich.:

ABC2D4E21F21 (1)

Weight, g/mol:

442.381081

ΔHf, kcal/mol:

35.53

Dipole, Da:

5.14

IP(EA), eV:

 -9.42(-1.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R,4R,6aR,6bS,8aR,11R,12S,14bR)-4-(hydroxymethyl)-4,6a,6b,8a,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-ol

Drug info:

PubChemData

Smile

C1CC1C2=CN(N=N2)[C@@H]3CN([C@H](C[C@@H]3O)C4=CC=C(C=C4)Cl)C(=O)C5=CC=CS5

DOS

IR

Vibrations