Geometry & MOs

Info

ID:	168934
PubChem CID:	75042036
Reduced:	N2O2F3C28H33 (1)
Stoich.:	A2B2C3D28E33 (1)
Weight, g/mol:	592.285005
ΔH_f, kcal/mol:	-207.3
Dipole, Da:	5.64
IP(EA), eV:	-8.59(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(3,3-dimethylcyclopentyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-(1,1-dioxothiazinan-2-yl)-5-(ethylamino)benzamide;hydrochloride

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C2CCN(CC2)C3CCC(CC3)NC(=O)C=CC4=CC(=CC=C4)C(F)(F)F

DOS

IR

Vibrations