Geometry & MOs

Info

ID:	185310
PubChem CID:	77284716
Reduced:	N2S2O4C17H22 (1)
Stoich.:	A2B2C4D17E22 (1)
Weight, g/mol:	407.118274
ΔH_f, kcal/mol:	-138.87
Dipole, Da:	2.41
IP(EA), eV:	-9.24(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[5-(4-methylpiperazine-1-carbonyl)-2,3,3a,6a-tetrahydro-1H-thieno[2,3-c]pyrazol-3-yl]benzamide

Drug info:

PubChemData

Smile

CC(C)(C)C1(CCCN1C(=O)O)CS(=O)(=O)C2=NC3=CC=CC=C3S2

DOS

IR

Vibrations