Geometry & MOs

Info

ID:	398832
PubChem CID:	135035651
Reduced:	NSO5C28H41 (1)
Stoich.:	ABC5D28E41 (1)
Weight, g/mol:	485.25998
ΔH_f, kcal/mol:	-229.88
Dipole, Da:	5.3
IP(EA), eV:	-9.48(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,17R)-12-(4-methylphenyl)sulfonyl-20-oxa-12-azatricyclo[13.6.2.01,17]tricosa-15(23),18-dien-16-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CCCCCCCCCC[C@@]34CC=C(CC2)C(=O)[C@@H]3CC(OC4)O

DOS

IR

Vibrations