Geometry & MOs

Info

ID:	358905
PubChem CID:	127296796
Reduced:	ON4C22H30 (1)
Stoich.:	AB4C22D30 (1)
Weight, g/mol:	396.19436
ΔH_f, kcal/mol:	-21.26
Dipole, Da:	3.41
IP(EA), eV:	-9.04(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-methylpiperazin-1-yl)sulfonyl-N-[(1S)-1-pyridin-3-ylethyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)NCC2CCC(CC2)C3=CC=CC=C3)C4=NC=CN4

DOS

IR

Vibrations