Geometry & MOs

Info

ID:	127551
PubChem CID:	51005888
Reduced:	O3C8H11 (2)
Stoich.:	A3B8C11 (2)
Weight, g/mol:	469.09224
ΔH_f, kcal/mol:	-215.01
Dipole, Da:	2.05
IP(EA), eV:	-9.44(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (Z)-7-[(1R,2S,3R,4S)-3-[(3-bromophenyl)sulfonylamino]-2-bicyclo[2.2.1]heptanyl]hept-5-enoate

Drug info:

PubChemData

Smile

CC(=C)[C@H]1C[C@H]2C(=C[C@]1(C(=O)C2(OC)OC)OC)C(=O)OC

DOS

IR

Vibrations