Geometry & MOs

Info

ID:	159554
PubChem CID:	57288448
Reduced:	FOC26H39 (1)
Stoich.:	ABC26D39 (1)
Weight, g/mol:	325.134779
ΔH_f, kcal/mol:	-113.81
Dipole, Da:	3.71
IP(EA), eV:	-8.56(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzenesulfonyl 2-[1-(aminomethyl)cycloheptyl]acetate

Drug info:

PubChemData

Smile

CCCCCOC1=CC=C(C=C1)C2CCC(CC2)C3(CCCCC3)CC=CF

DOS

IR

Vibrations