Geometry & MOs

Info

ID:

176048

PubChem CID:

75988564

Reduced:

NOC18H27 (2)

Stoich.:

ABC18D27 (2)

Weight, g/mol:

603.428759

ΔHf, kcal/mol:

-118.96

Dipole, Da:

4.3

IP(EA), eV:

 -9.72(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxamide

Drug info:

PubChemData

Smile

CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C(=O)NCC6=CC=NC=C6

DOS

IR

Vibrations