Geometry & MOs

Info

ID:	229336
PubChem CID:	87567433
Reduced:	ClSO2N8C29H35 (1)
Stoich.:	ABC2D8E29F35 (1)
Weight, g/mol:	495.346092
ΔH_f, kcal/mol:	-30.02
Dipole, Da:	6.77
IP(EA), eV:	-8.5(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-tert-butyl-2-hydroxy-5-methoxyphenyl)-1-(2-cyclohexylethyl)-1-[4-(diethylamino)phenyl]urea

Drug info:

PubChemData

Smile

CC(NC(=O)CCC1=NC(=CC=C1)C(C2=NC(=C(C(=N2)N)C#N)C3=CC=C(C=C3)NC(=O)C)S)N4CCCCC4.Cl

DOS

IR

Vibrations