Geometry & MOs

Info

ID:	352247
PubChem CID:	127283329
Reduced:	ClON4C20H25 (1)
Stoich.:	ABC4D20E25 (1)
Weight, g/mol:	399.103497
ΔH_f, kcal/mol:	5.92
Dipole, Da:	1.65
IP(EA), eV:	-9.19(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2CCCN2C(=O)NC(C3CCC3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations