Geometry & MOs

Info

ID:	336287
PubChem CID:	127255294
Reduced:	SN4O5H22C25 (1)
Stoich.:	AB4C5D22E25 (1)
Weight, g/mol:	447.149574
ΔH_f, kcal/mol:	-100.33
Dipole, Da:	4.12
IP(EA), eV:	-8.36(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-5-oxopentanamide

Drug info:

PubChemData

Smile

COC1=C(C2=C(C=C1)C3N(C(=O)C4=CC=CC=C4N3C2=O)CC(=O)NC5=NC6=C(S5)CCC6)OC

DOS

IR

Vibrations