Geometry & MOs

Info

ID:	422105
PubChem CID:	135117208
Reduced:	N2O2S2C17H20 (1)
Stoich.:	A2B2C2D17E20 (1)
Weight, g/mol:	388.211055
ΔH_f, kcal/mol:	-45.7
Dipole, Da:	3.94
IP(EA), eV:	-9.19(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-methoxyphenyl)-3-[2-(4-methylpiperazin-1-yl)butylamino]-1,2-oxazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CC(=O)N2CCC3(CC2)C4=C(CCO3)SC=C4

DOS

IR

Vibrations