Geometry & MOs

Info

ID:	188572
PubChem CID:	77736299
Reduced:	SN2O4H22C23 (1)
Stoich.:	AB2C4D22E23 (1)
Weight, g/mol:	258.16198
ΔH_f, kcal/mol:	-106.21
Dipole, Da:	3.86
IP(EA), eV:	-9.3(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-benzyl-6-bicyclo[3.2.1]octanyl)acetic acid

Drug info:

PubChemData

Smile

CC1=CC=CC=C1COC(=O)C2=CC3C(S2)N(C(=O)N(C3=O)CC4=CC=CC=C4)C

DOS

IR

Vibrations