Geometry & MOs

Info

ID:

219173

PubChem CID:

85091214

Reduced:

SN4O10H28C32 (1)

Stoich.:

AB4C10D28E32 (1)

Weight, g/mol:

662.402998

ΔHf, kcal/mol:

-298.58

Dipole, Da:

5.7

IP(EA), eV:

 -8.78(-1.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

dimethyl 12-hydroxy-4,6a,6b,11,12,14b-hexamethyl-3-(3,4,5-trihydroxyoxan-2-yl)oxy-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylate

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1O)NC3=C4C(=C5C(=C23)C(=O)N(C5=O)NCC6=C(C=CS6)CO)C7=C(N4C8C(C(C(C(O8)CO)O)O)O)C=C(C=C7)O

DOS

IR

Vibrations