Geometry & MOs

Info

ID:	418939
PubChem CID:	135107164
Reduced:	ClNSO5C16H22 (1)
Stoich.:	ABCD5E16F22 (1)
Weight, g/mol:	359.166748
ΔH_f, kcal/mol:	-220.32
Dipole, Da:	6.25
IP(EA), eV:	-9.59(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@]1(CCOC2([C@H]1O)CCN(CC2)S(=O)(=O)C3=CC(=CC=C3)Cl)O

DOS

IR

Vibrations