Geometry & MOs

Info

ID:	363538
PubChem CID:	127311617
Reduced:	S2N3O3C13H25 (1)
Stoich.:	A2B3C3D13E25 (1)
Weight, g/mol:	385.157246
ΔH_f, kcal/mol:	-134.42
Dipole, Da:	2.39
IP(EA), eV:	-8.79(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(CC1CNC(=O)NCCS(=O)(=O)N2CCSCC2)C

DOS

IR

Vibrations