Geometry & MOs

Info

ID:	56512
PubChem CID:	17436009
Reduced:	N2O3S3H20C21 (1)
Stoich.:	A2B3C3D20E21 (1)
Weight, g/mol:	316.215078
ΔH_f, kcal/mol:	-21.93
Dipole, Da:	7.58
IP(EA), eV:	-8.41(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-1-[2-(tert-butylamino)-2-oxoethyl]cyclopentane-1-carboxamide

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC=C(C=C1)C2=CSC(=N2)N(CC=C)C(=O)C3=CC4=C(S3)CCC4

DOS

IR

Vibrations