Geometry & MOs

Info

ID:	243047
PubChem CID:	99215265
Reduced:	ON2C11H13 (2)
Stoich.:	AB2C11D13 (2)
Weight, g/mol:	409.146013
ΔH_f, kcal/mol:	-7.7
Dipole, Da:	3.91
IP(EA), eV:	-8.57(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methoxyphenyl)-[4-[(5-phenyl-2-sulfanylidene-1,3-oxazol-3-yl)methyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)N2CCN(CC2)CN3C4=C(C=C(C=C4)C(=O)OC)C=N3)C

DOS

IR

Vibrations