Geometry & MOs

Info

ID:	365689
PubChem CID:	127318414
Reduced:	N2O3C18H20 (1)
Stoich.:	A2B3C18D20 (1)
Weight, g/mol:	391.156577
ΔH_f, kcal/mol:	-40.61
Dipole, Da:	3.61
IP(EA), eV:	-8.9(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-(azepan-1-ylsulfonyl)phenyl]-3-(oxan-4-yl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=C2C(=C(OC2=C(C=C1)C)C3=NC(=NO3)C4CCOCC4)C

DOS

IR

Vibrations