Geometry & MOs

Info

ID:	121701
PubChem CID:	50778130
Reduced:	ClSO2N4H21C23 (1)
Stoich.:	ABC2D4E21F23 (1)
Weight, g/mol:	366.132805
ΔH_f, kcal/mol:	10.53
Dipole, Da:	7.64
IP(EA), eV:	-9.31(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[5-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-3-yl]phenyl]-3-propan-2-ylurea

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)C(=O)NCC2=CC(=O)N3C(=N2)SC(=N3)C4=CC=CC=C4Cl

DOS

IR

Vibrations