Geometry & MOs

Info

ID:	54221
PubChem CID:	16954409
Reduced:	SN2O5C15H18 (1)
Stoich.:	AB2C5D15E18 (1)
Weight, g/mol:	517.214761
ΔH_f, kcal/mol:	-184.24
Dipole, Da:	7.2
IP(EA), eV:	-9.26(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-4-methyl-2-(2-oxopyrrolidin-1-yl)-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)N)S(=O)(=O)C2=CC3=C(C=C2)OCCC3=O

DOS

IR

Vibrations