Geometry & MOs

Info

ID:	137350
PubChem CID:	52194791
Reduced:	SN3O3C22H29 (1)
Stoich.:	AB3C3D22E29 (1)
Weight, g/mol:	338.119047
ΔH_f, kcal/mol:	-76.67
Dipole, Da:	3.77
IP(EA), eV:	-9.02(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]urea

Drug info:

PubChemData

Smile

CN(C)[C@H](CNC(=O)C1CCN(CC1)C(=O)COC2=CC=CC=C2)C3=CSC=C3

DOS

IR

Vibrations