Geometry & MOs

Info

ID:	83606
PubChem CID:	49858700
Reduced:	BrO2N3C24H26 (1)
Stoich.:	AB2C3D24E26 (1)
Weight, g/mol:	458.136553
ΔH_f, kcal/mol:	3.94
Dipole, Da:	5.16
IP(EA), eV:	-8.98(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,13R)-17,18-dimethoxy-13-(4-methoxyphenyl)-4,12,21-trioxapentacyclo[11.7.1.02,11.05,10.015,20]henicosa-2(11),5,7,9,15,17,19-heptaen-3-one

Drug info:

PubChemData

Smile

CC1=C(C(N=C(N1CC2=CC=CC=C2)NCC3CC3)C4=CC=C(C=C4)Br)C(=O)OC

DOS

IR

Vibrations