Geometry & MOs

Info

ID:	369380
PubChem CID:	127332930
Reduced:	SO2N4C19H26 (1)
Stoich.:	AB2C4D19E26 (1)
Weight, g/mol:	336.179755
ΔH_f, kcal/mol:	13.28
Dipole, Da:	6.4
IP(EA), eV:	-8.96(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1=C(SC=C1)C(=O)N2CCCN(CC2)CC3=NOC(=N3)C4CC4

DOS

IR

Vibrations