Geometry & MOs

Info

ID:	155078
PubChem CID:	56320654
Reduced:	SO3N5C23H31 (1)
Stoich.:	AB3C5D23E31 (1)
Weight, g/mol:	434.231791
ΔH_f, kcal/mol:	-64.5
Dipole, Da:	6.57
IP(EA), eV:	-9.31(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(oxan-2-ylmethoxymethyl)phenyl]-3-[2-(1-phenylpyrazol-3-yl)ethyl]urea

Drug info:

PubChemData

Smile

CN(CC=C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)NC2CCN(CC2)CCC3=CC=NC=C3

DOS

IR

Vibrations