Geometry & MOs

Info

ID:	423670
PubChem CID:	135119966
Reduced:	SN2O5C18H28 (1)
Stoich.:	AB2C5D18E28 (1)
Weight, g/mol:	347.140055
ΔH_f, kcal/mol:	-204.92
Dipole, Da:	6.23
IP(EA), eV:	-8.83(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7-chloro-1-methylindol-2-yl)-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)CCC(=O)N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C)OC

DOS

IR

Vibrations