Geometry & MOs

Info

ID:	60635
PubChem CID:	26697320
Reduced:	SN2O2C18H26 (1)
Stoich.:	AB2C2D18E26 (1)
Weight, g/mol:	334.171499
ΔH_f, kcal/mol:	-94.57
Dipole, Da:	0.94
IP(EA), eV:	-8.57(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)N[C@H](CCSC)C(=O)NC2CCCC2

DOS

IR

Vibrations