Geometry & MOs

Info

ID:

49369

PubChem CID:

11532927

Reduced:

NO5C29H29 (1)

Stoich.:

AB5C29D29 (1)

Weight, g/mol:

471.171559

ΔHf, kcal/mol:

-140.95

Dipole, Da:

5.42

IP(EA), eV:

 -8.25(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(13S,16R,17R)-3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl] 3-sulfamoylbenzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)C2=C(N(C3=C2C=CC(=C3)OC)CC4=CC(=CC=C4)CO[C@H](C)C(=O)O)C

DOS

IR

Vibrations