Geometry & MOs

Info

ID:	139796
PubChem CID:	52596385
Reduced:	SO3N4C23H24 (1)
Stoich.:	AB3C4D23E24 (1)
Weight, g/mol:	381.172228
ΔH_f, kcal/mol:	-34.79
Dipole, Da:	8.62
IP(EA), eV:	-8.35(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-[(1R,2S)-2-methylcyclohexyl]urea

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N2CCN(CC2)C(=O)NC3=CC=CC(=C3)NC(=O)C4=CC=CS4

DOS

IR

Vibrations