Geometry & MOs

Info

ID:

84369

PubChem CID:

49866066

Reduced:

N2O7C36H44 (1)

Stoich.:

A2B7C36D44 (1)

Weight, g/mol:

500.434179

ΔHf, kcal/mol:

-240.2

Dipole, Da:

4.57

IP(EA), eV:

 -8.74(-0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-[(1R,3aS,5aR,5bR,7aR,11aR,11bR,13aR,13bS)-9-amino-3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-1-yl]prop-2-enylamino]ethanol

Drug info:

PubChemData

Smile

CC1=C(C2=C([C@@H](N3[C@@H](C2)CN([C@H](C3=O)CC4=CC=CC=C4)C(=O)OC(C)(C)C)COCC5=CC=CC=C5)C(=C1OC)OC)OC

DOS

IR

Vibrations