Geometry & MOs

Info

ID:	366773
PubChem CID:	127320310
Reduced:	O2S2N4C15H22 (1)
Stoich.:	A2B2C4D15E22 (1)
Weight, g/mol:	301.146013
ΔH_f, kcal/mol:	-25.73
Dipole, Da:	5.55
IP(EA), eV:	-9.03(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-2-[4-(cyclopropylmethylsulfonyl)piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(CNS(=O)(=O)C2=CN=CN2)C3=CC=CS3

DOS

IR

Vibrations