Geometry & MOs

Info

ID:	350231
PubChem CID:	127277309
Reduced:	SO2N5C15H23 (1)
Stoich.:	AB2C5D15E23 (1)
Weight, g/mol:	395.108582
ΔH_f, kcal/mol:	-70.08
Dipole, Da:	2.86
IP(EA), eV:	-9.21(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-pyridin-3-ylsulfonylpiperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CSC(=N1)C(C)NC(=O)N2CCC(CC2)N3CCNC3=O

DOS

IR

Vibrations