Geometry & MOs

Info

ID:	81231
PubChem CID:	49854488
Reduced:	SN4O5C28H32 (1)
Stoich.:	AB4C5D28E32 (1)
Weight, g/mol:	613.351572
ΔH_f, kcal/mol:	-151.98
Dipole, Da:	9.54
IP(EA), eV:	-8.84(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

nonyl 1-[2-oxo-7-[4-[(3-phenylphenyl)methyl]piperazin-1-yl]-1,3-benzoxazol-3-yl]propyl carbonate

Drug info:

PubChemData

Smile

C1CCC(C1)CCOC(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=CC5=C4N=CC=C5

DOS

IR

Vibrations