Geometry & MOs

Info

ID:

178830

PubChem CID:

76386778

Reduced:

N3O9C26H31 (1)

Stoich.:

A3B9C26D31 (1)

Weight, g/mol:

659.321592

ΔHf, kcal/mol:

-347.3

Dipole, Da:

7.0

IP(EA), eV:

 -9.32(-1.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-11-(trifluoromethylsulfonylcarbamoylamino)-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl] carbamate

Drug info:

PubChemData

Smile

CC1C2(C(C(C(C2(C)O)(COC(=O)C3=C(C=CC=C3O)C)O)NC4=CC=CC(=C4)C(=O)CO)N)NC(=O)O1

DOS

IR

Vibrations