Geometry & MOs

Info

ID:	419595
PubChem CID:	135108529
Reduced:	NOSC6H11 (2)
Stoich.:	ABCD6E11 (2)
Weight, g/mol:	331.16444
ΔH_f, kcal/mol:	-68.3
Dipole, Da:	4.32
IP(EA), eV:	-8.72(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methoxypyridin-4-yl)-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(SC=C1)CN(C)CCCS(=O)(=O)N(C)C

DOS

IR

Vibrations