Geometry & MOs

Info

ID:	83624
PubChem CID:	49859189
Reduced:	BrNO3H26C28 (1)
Stoich.:	ABC3D26E28 (1)
Weight, g/mol:	434.172939
ΔH_f, kcal/mol:	-36.22
Dipole, Da:	4.09
IP(EA), eV:	-8.89(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,9S)-9-butyl-13,14-dimethoxy-5-phenyl-4,8,17-trioxatetracyclo[7.7.1.02,7.011,16]heptadeca-2(7),5,11,13,15-pentaen-3-one

Drug info:

PubChemData

Smile

CC1=CC[C@H](O[C@]2(C1)C3=CC=CC=C3N(C2=O)CC4=CC=C(C=C4)Br)COC5=CC=CC=C5

DOS

IR

Vibrations