Geometry & MOs

Info

ID:	187047
PubChem CID:	77525743
Reduced:	SO4N6C26H38 (1)
Stoich.:	AB4C6D26E38 (1)
Weight, g/mol:	496.308979
ΔH_f, kcal/mol:	-122.67
Dipole, Da:	4.57
IP(EA), eV:	-8.72(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4b-benzyl-7-butyl-7-hydroxy-N-[(2-methylpyridin-3-yl)methyl]-5,6,8,8a,9,10-hexahydrophenanthrene-2-carboxamide

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)S(=O)(=O)N2CCCN(CC2)C)C3NC4=C(N=C(N4C(=O)N3)C5CCCCC5)C

DOS

IR

Vibrations