Geometry & MOs

Info

ID:	363539
PubChem CID:	127311618
Reduced:	SO2N5C19H23 (1)
Stoich.:	AB2C5D19E23 (1)
Weight, g/mol:	399.172896
ΔH_f, kcal/mol:	-12.7
Dipole, Da:	5.2
IP(EA), eV:	-8.68(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NC(=CS1)CNC(=O)N2CCN(CC2)C3=NC4=C(O3)C=CC(=C4)C

DOS

IR

Vibrations