Geometry & MOs

Info

ID:	386996
PubChem CID:	134983643
Reduced:	O3C15H16 (2)
Stoich.:	A3B15C16 (2)
Weight, g/mol:	391.18173
ΔH_f, kcal/mol:	-159.88
Dipole, Da:	2.94
IP(EA), eV:	-9.25(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)O[C@H]1[C@H]([C@@H]([C@H](OC1=C)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4

DOS

IR

Vibrations