Geometry & MOs

Info

ID:	222529
PubChem CID:	85305455
Reduced:	O5C21H30 (1)
Stoich.:	A5B21C30 (1)
Weight, g/mol:	362.15518
ΔH_f, kcal/mol:	-215.68
Dipole, Da:	2.49
IP(EA), eV:	-9.38(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(benzenesulfonylmethyl)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] prop-2-enoate

Drug info:

PubChemData

Smile

CC1(CC2C(C3(C(C2C1OCC4=CC=CC=C4)CO)OCCO3)CO)C

DOS

IR

Vibrations