Geometry & MOs

Info

ID:	397106
PubChem CID:	135029742
Reduced:	NSBr2O5C20H23 (1)
Stoich.:	ABC2D5E20F23 (1)
Weight, g/mol:	357.194008
ΔH_f, kcal/mol:	-129.41
Dipole, Da:	3.01
IP(EA), eV:	-8.46(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,6R,13R)-14-ethyl-11-(3-hydroxyprop-1-ynyl)-4,4-dimethyl-3,5-dioxa-14-azapentacyclo[10.3.2.01,6.09,13.09,16]heptadec-10-en-15-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NC(/C=C/CBr)C2=CC(=C(C(=C2Br)OC)OC)OC

DOS

IR

Vibrations