Geometry & MOs

Info

ID:	184896
PubChem CID:	77225475
Reduced:	BrN2O3C20H25 (1)
Stoich.:	AB2C3D20E25 (1)
Weight, g/mol:	602.221736
ΔH_f, kcal/mol:	-103.22
Dipole, Da:	7.83
IP(EA), eV:	-9.55(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclohexyloxy-N-(2-hydroxyethylsulfonyl)-4-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]benzamide;hydrochloride

Drug info:

PubChemData

Smile

CC(C)(C)C(CN(CCC1=CC=C(C=C1)Br)C(=O)O)(C2=CN=CC=C2)O

DOS

IR

Vibrations