Geometry & MOs

Info

ID:	217679
PubChem CID:	85088204
Reduced:	SN2O2H20C23 (1)
Stoich.:	AB2C2D20E23 (1)
Weight, g/mol:	388.224974
ΔH_f, kcal/mol:	-16.54
Dipole, Da:	0.55
IP(EA), eV:	-8.57(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(3-methoxy-3-oxopropyl)-3,3-dimethyl-4-phenylmethoxybicyclo[3.2.1]octane-2-carboxylate

Drug info:

PubChemData

Smile

C1CSCC2C1=C3C(C4C2C(=O)N(C4=O)C5=CC=CC=C5)NC6=CC=CC=C63

DOS

IR

Vibrations