Geometry & MOs

Info

ID:	354855
PubChem CID:	127287615
Reduced:	SO2N4C18H24 (1)
Stoich.:	AB2C4D18E24 (1)
Weight, g/mol:	377.152161
ΔH_f, kcal/mol:	-16.54
Dipole, Da:	0.99
IP(EA), eV:	-8.51(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-ylamino]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1CCN(C2=CC=CC=C2S1)C(=O)CNC(C)(C)C3=NOC(=N3)C

DOS

IR

Vibrations