Geometry & MOs

Info

ID:	60647
PubChem CID:	26697336
Reduced:	F2N2O3C15H18 (1)
Stoich.:	A2B2C3D15E18 (1)
Weight, g/mol:	469.170513
ΔH_f, kcal/mol:	-228.31
Dipole, Da:	3.65
IP(EA), eV:	-9.75(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-1-(cyclopentylamino)-4-methylsulfanyl-1-oxobutan-2-yl]-3-morpholin-4-ylsulfonylbenzamide

Drug info:

PubChemData

Smile

C1CCC(C1)NC(=O)CNC(=O)C2=CC=C(C=C2)OC(F)F

DOS

IR

Vibrations