Geometry & MOs

Info

ID:	268215
PubChem CID:	103598425
Reduced:	FO2N3H16C17 (1)
Stoich.:	AB2C3D16E17 (1)
Weight, g/mol:	367.110296
ΔH_f, kcal/mol:	-60.6
Dipole, Da:	3.46
IP(EA), eV:	-9.66(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-[3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enoylamino]urea

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)C=CC(=O)NCCNC(=O)C2=CC=C(C=C2)F

DOS

IR

Vibrations