Geometry & MOs

Info

ID:	139758
PubChem CID:	52590520
Reduced:	S2N3O3H23C24 (1)
Stoich.:	A2B3C3D23E24 (1)
Weight, g/mol:	316.189926
ΔH_f, kcal/mol:	-34.68
Dipole, Da:	5.02
IP(EA), eV:	-8.47(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[(2S)-3-methylbutan-2-yl]urea

Drug info:

PubChemData

Smile

CC1=NC2=C(S1)C=C(C3=C2SC=C3)OCC(=O)N[C@@H](C)C4=CC=C(C=C4)NC(=O)C5CC5

DOS

IR

Vibrations