Geometry & MOs

Info

ID:	437317
PubChem CID:	135223327
Reduced:	O6C15H20 (1)
Stoich.:	A6B15C20 (1)
Weight, g/mol:	390.055339
ΔH_f, kcal/mol:	-222.69
Dipole, Da:	2.83
IP(EA), eV:	-9.01(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(3-chlorophenyl)sulfonylphenyl]-3-(1H-pyrazol-4-ylmethyl)urea

Drug info:

PubChemData

Smile

CC(=C)C1=CC(=C(C=C1OCOC)OCOC)C(=O)OC

DOS

IR

Vibrations