Geometry & MOs

Info

ID:	418945
PubChem CID:	135107203
Reduced:	SN5C14H19 (1)
Stoich.:	AB5C14D19 (1)
Weight, g/mol:	369.135842
ΔH_f, kcal/mol:	48.89
Dipole, Da:	3.18
IP(EA), eV:	-8.52(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]sulfonyl]phenoxy]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)NCC2=CSC(=N2)N3CCCC3)C

DOS

IR

Vibrations