Geometry & MOs

Info

ID:	414701
PubChem CID:	135087660
Reduced:	ClSN2O4C16H23 (1)
Stoich.:	ABC2D4E16F23 (1)
Weight, g/mol:	300.195011
ΔH_f, kcal/mol:	-162.48
Dipole, Da:	7.04
IP(EA), eV:	-9.41(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(2-methylphenyl)-1,4-diazepan-1-yl]-5-propan-2-yl-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)CCC2=CC=C(C=C2)Cl

DOS

IR

Vibrations