Geometry & MOs

Info

ID:	352346
PubChem CID:	127283430
Reduced:	SO2N4C18H26 (1)
Stoich.:	AB2C4D18E26 (1)
Weight, g/mol:	348.161997
ΔH_f, kcal/mol:	-47.77
Dipole, Da:	3.74
IP(EA), eV:	-9.11(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-(2-ethyl-4-methyl-1,3-thiazol-5-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)CN2CCN(CC2)C(=O)C3=CN=C(S3)C(C)(C)C)C

DOS

IR

Vibrations