Geometry & MOs

Info

ID:	188601
PubChem CID:	77740044
Reduced:	N3O6C26H29 (1)
Stoich.:	A3B6C26D29 (1)
Weight, g/mol:	489.101286
ΔH_f, kcal/mol:	-142.98
Dipole, Da:	6.71
IP(EA), eV:	-8.91(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3-chlorophenyl)-2-hydroxyethyl]-[3-[4-(3-hydroxyphenyl)sulfonylphenyl]propyl]carbamic acid

Drug info:

PubChemData

Smile

CC1=NN=C(O1)C2=CC3=C(O2)C=CC=C3OCC(CN4CCC5(CC4)C6=CC=CC=C6CO5)O.O

DOS

IR

Vibrations