Geometry & MOs

Info

ID:	440732
PubChem CID:	135231161
Reduced:	OSN6H16C17 (1)
Stoich.:	ABC6D16E17 (1)
Weight, g/mol:	430.146347
ΔH_f, kcal/mol:	69.2
Dipole, Da:	3.4
IP(EA), eV:	-8.78(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations