Geometry & MOs

Info

ID:	351937
PubChem CID:	127282855
Reduced:	ClSO2N4C18H27 (1)
Stoich.:	ABC2D4E18F27 (1)
Weight, g/mol:	378.208947
ΔH_f, kcal/mol:	-79.26
Dipole, Da:	3.84
IP(EA), eV:	-9.22(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-(cyclopentylamino)-1-oxopropan-2-yl]-N-[(3-methylthiophen-2-yl)methyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1CCCC1)N2CCN(CC2)C(=O)NCC3=CC=C(S3)Cl

DOS

IR

Vibrations