Geometry & MOs

Info

ID:	155073
PubChem CID:	56320647
Reduced:	O3N4C25H32 (1)
Stoich.:	A3B4C25D32 (1)
Weight, g/mol:	420.123167
ΔH_f, kcal/mol:	-92.85
Dipole, Da:	3.4
IP(EA), eV:	-8.29(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(1-phenylpyrazol-3-yl)ethyl]-3-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]urea

Drug info:

PubChemData

Smile

C1CCC2(CC1)OC3=C(O2)C=C(C=C3)NC(=O)NC4CCN(CC4)CCC5=CC=NC=C5

DOS

IR

Vibrations