Geometry & MOs

Info

ID:	440726
PubChem CID:	135231131
Reduced:	OSN5C18H23 (1)
Stoich.:	ABC5D18E23 (1)
Weight, g/mol:	354.115047
ΔH_f, kcal/mol:	21.57
Dipole, Da:	3.38
IP(EA), eV:	-8.29(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2-methoxyphenyl)sulfanylphenyl]-3-(1H-pyrazol-4-ylmethyl)urea

Drug info:

PubChemData

Smile

CN1CCC(C1)NSC2=CC=C(C=C2)NC(=O)NCC3=CC=NC=C3

DOS

IR

Vibrations