Geometry & MOs

Info

ID:	140814
PubChem CID:	52766337
Reduced:	ON2C14H19 (2)
Stoich.:	AB2C14D19 (2)
Weight, g/mol:	466.167477
ΔH_f, kcal/mol:	-69.54
Dipole, Da:	4.15
IP(EA), eV:	-8.29(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]phenyl]-[4-[(3-nitrophenyl)methyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H](CN(C1)C(=O)C2=CC=CC=C2NC(=O)C3=CC=C(C=C3)N4CCN(CC4)C(C)C)C

DOS

IR

Vibrations