Geometry & MOs

Info

ID:	398833
PubChem CID:	135035652
Reduced:	NSO4C28H39 (1)
Stoich.:	ABC4D28E39 (1)
Weight, g/mol:	545.281109
ΔH_f, kcal/mol:	-149.19
Dipole, Da:	8.63
IP(EA), eV:	-8.69(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,15R,16S,17R)-16,23-dimethoxy-12-(4-methylphenyl)sulfonyl-20-oxa-12-azatetracyclo[13.6.2.01,17.016,18]tricos-22-en-19-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CCCCCCCCCC[C@@]34CC=C(CC2)C(=O)[C@@H]3C=COC4

DOS

IR

Vibrations