Geometry & MOs

Info

ID:	194531
PubChem CID:	78549945
Reduced:	SN3O6C18H25 (1)
Stoich.:	AB3C6D18E25 (1)
Weight, g/mol:	422.187543
ΔH_f, kcal/mol:	-250.29
Dipole, Da:	4.9
IP(EA), eV:	-9.7(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(cyclopentylamino)-1-oxopropan-2-yl] 3-(2-methylpiperidin-1-yl)sulfonylbenzoate

Drug info:

PubChemData

Smile

CCNC(=O)NC(=O)COC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCCC2C

DOS

IR

Vibrations