Geometry & MOs

Info

ID:	294421
PubChem CID:	117460168
Reduced:	ClNO4C13H16 (1)
Stoich.:	ABC4D13E16 (1)
Weight, g/mol:	285.022642
ΔH_f, kcal/mol:	-151.64
Dipole, Da:	5.46
IP(EA), eV:	-8.77(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3,4,5-tetrahydropyrano[4,3-b]indol-8-ylmethanesulfonyl chloride

Drug info:

PubChemData

Smile

CCC1=C(C2=C(C=C1C(CCC(=O)O)N)OCO2)Cl

DOS

IR

Vibrations