Geometry & MOs

Info

ID:	351963
PubChem CID:	127282881
Reduced:	S2N3O3C17H25 (1)
Stoich.:	A2B3C3D17E25 (1)
Weight, g/mol:	373.247775
ΔH_f, kcal/mol:	-110.21
Dipole, Da:	4.37
IP(EA), eV:	-8.86(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-(cyclopentylamino)-1-oxopropan-2-yl]-N-[(6-methylpyridin-3-yl)methyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1CN(CCS1)C(=O)NCC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

DOS

IR

Vibrations