Geometry & MOs

Info

ID:	361829
PubChem CID:	127304735
Reduced:	SN3O5C18H19 (1)
Stoich.:	AB3C5D18E19 (1)
Weight, g/mol:	364.193297
ΔH_f, kcal/mol:	-157.52
Dipole, Da:	5.96
IP(EA), eV:	-9.1(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-tert-butyl-4-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazine-1-carbonyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

C1CN(CCS(=O)(=O)C1)C(=O)CN2C(=O)CN3C4=CC=CC=C4C=C3C2=O

DOS

IR

Vibrations