Geometry & MOs

Info

ID:	398831
PubChem CID:	135035650
Reduced:	NSO5C28H43 (1)
Stoich.:	ABC5D28E43 (1)
Weight, g/mol:	503.270545
ΔH_f, kcal/mol:	-206.67
Dipole, Da:	6.15
IP(EA), eV:	-8.85(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,17R)-19-hydroxy-12-(4-methylphenyl)sulfonyl-20-oxa-12-azatricyclo[13.6.2.01,17]tricos-15(23)-en-16-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CCCCCCCCCCC3(C=C(C(CC2)C(=C3)OC)OC)CO

DOS

IR

Vibrations