Geometry & MOs

Info

ID:	195090
PubChem CID:	78633070
Reduced:	SN2O5C21H32 (1)
Stoich.:	AB2C5D21E32 (1)
Weight, g/mol:	346.12772
ΔH_f, kcal/mol:	-240.22
Dipole, Da:	6.0
IP(EA), eV:	-9.1(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 4-(1,3,4-oxadiazol-2-yl)benzoate

Drug info:

PubChemData

Smile

CC1CC2=C(N1S(=O)(=O)C)C=CC(=C2)C(=O)OCC(=O)NC(C)(C)CC(C)(C)C

DOS

IR

Vibrations