Geometry & MOs

Info

ID:	214387
PubChem CID:	84981820
Reduced:	SN3O4C19H28 (1)
Stoich.:	AB3C4D19E28 (1)
Weight, g/mol:	421.194774
ΔH_f, kcal/mol:	-35.52
Dipole, Da:	9.86
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 2.874385
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-3-(2-methylheptyl)thiourea

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)C(C)[NH+](C)CC2=CC=C(O2)C

DOS

IR

Vibrations