Geometry & MOs

Info

ID:	363528
PubChem CID:	127311607
Reduced:	FSN4O4C17H23 (1)
Stoich.:	ABC4D4E17F23 (1)
Weight, g/mol:	370.146347
ΔH_f, kcal/mol:	-199.86
Dipole, Da:	2.66
IP(EA), eV:	-9.14(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-methyl-1,3-benzoxazol-2-yl)-N-[(3-methylthiophen-2-yl)methyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CCCC(C1)NC(=O)NC2CCN(C2=O)C3=CC=CC=C3F

DOS

IR

Vibrations