Geometry & MOs

Info

ID:	363519
PubChem CID:	127311598
Reduced:	SO2N4C18H20 (1)
Stoich.:	AB2C4D18E20 (1)
Weight, g/mol:	370.146347
ΔH_f, kcal/mol:	-4.73
Dipole, Da:	4.25
IP(EA), eV:	-8.7(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)OC(=N2)N3CCN(CC3)C(=O)NCC4=CSC=C4

DOS

IR

Vibrations