Geometry & MOs

Info

ID:	358376
PubChem CID:	127295921
Reduced:	SN3O3C16H29 (1)
Stoich.:	AB3C3D16E29 (1)
Weight, g/mol:	358.200491
ΔH_f, kcal/mol:	-153.23
Dipole, Da:	8.13
IP(EA), eV:	-8.93(0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-methyl-1-(oxan-3-ylmethyl)urea

Drug info:

PubChemData

Smile

CC(C(=O)NC1CCS(=O)(=O)C1)N2CCC(C2)N3CCCCC3

DOS

IR

Vibrations