Geometry & MOs

Info

ID:	440720
PubChem CID:	135231102
Reduced:	ClO2N6C24H29 (1)
Stoich.:	AB2C6D24E29 (1)
Weight, g/mol:	462.136176
ΔH_f, kcal/mol:	-13.81
Dipole, Da:	7.93
IP(EA), eV:	-8.45(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)C1(CCC2(CC1)CN(C(=O)N2)C3=CN=C(N=C3)N)C4=CC=CC(=C4)C5CC5C(=O)Cl

DOS

IR

Vibrations