Geometry & MOs

Info

ID:	60632
PubChem CID:	26697316
Reduced:	SN2O3C18H26 (1)
Stoich.:	AB2C3D18E26 (1)
Weight, g/mol:	350.166414
ΔH_f, kcal/mol:	-127.63
Dipole, Da:	6.48
IP(EA), eV:	-8.47(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-1-(cyclopentylamino)-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C(=O)N[C@@H](CCSC)C(=O)NC2CCCC2

DOS

IR

Vibrations