Geometry & MOs

Info

ID:	184892
PubChem CID:	77224913
Reduced:	ClN3O4H24C25 (1)
Stoich.:	AB3C4D24E25 (1)
Weight, g/mol:	592.183242
ΔH_f, kcal/mol:	-56.03
Dipole, Da:	11.35
IP(EA), eV:	-8.73(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]-N-(2-methoxyethylsulfonyl)-2-propan-2-ylsulfanylbenzamide;hydrochloride

Drug info:

PubChemData

Smile

CCC(=CC(=O)O)C1=CN(C2=C1C=CC=C2C3=NOC(=N3)C4=CC(=C(C=C4)OC(C)C)Cl)C

DOS

IR

Vibrations