Geometry & MOs

Info

ID:	440740
PubChem CID:	135231249
Reduced:	ON3C13H21 (1)
Stoich.:	AB3C13D21 (1)
Weight, g/mol:	410.141262
ΔH_f, kcal/mol:	-29.06
Dipole, Da:	2.49
IP(EA), eV:	-8.61(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(2-methylphenyl)methylsulfonylamino]phenyl]-3-(pyridin-4-ylmethyl)urea

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1C(C)(C)C)N2CCOCC2

DOS

IR

Vibrations