Geometry & MOs

Info

ID:	60648
PubChem CID:	26697338
Reduced:	S2N3O5C21H31 (1)
Stoich.:	A2B3C5D21E31 (1)
Weight, g/mol:	469.170513
ΔH_f, kcal/mol:	-200.03
Dipole, Da:	4.91
IP(EA), eV:	-9.03(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CSCC[C@H](C(=O)NC1CCCC1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

DOS

IR

Vibrations