Geometry & MOs

Info

ID:	365593
PubChem CID:	127318200
Reduced:	SO2N4C19H34 (1)
Stoich.:	AB2C4D19E34 (1)
Weight, g/mol:	374.177647
ΔH_f, kcal/mol:	-122.48
Dipole, Da:	6.91
IP(EA), eV:	-8.34(0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-methyl-1,3-benzoxazol-2-yl)-N-(thian-4-ylmethyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)CN2CCN(CC2)C(=O)NCC3CCSCC3

DOS

IR

Vibrations