Geometry & MOs

Info

ID:	157460
PubChem CID:	56430301
Reduced:	SO3N5C21H27 (1)
Stoich.:	AB3C5D21E27 (1)
Weight, g/mol:	422.181727
ΔH_f, kcal/mol:	-64.53
Dipole, Da:	8.47
IP(EA), eV:	-8.36(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-hydroxycyclohexyl)-1-[(3-methoxyphenyl)methyl]-3-[2-(trifluoromethyl)phenyl]urea

Drug info:

PubChemData

Smile

CCN(CC)CCN1C=CC2=C1C=CC(=C2)NC(=O)NC3=CC=C(C=C3)S(=O)(=O)N

DOS

IR

Vibrations