Geometry & MOs

Info

ID:	80975
PubChem CID:	49854178
Reduced:	SN4O4C27H30 (1)
Stoich.:	AB4C4D27E30 (1)
Weight, g/mol:	653.419257
ΔH_f, kcal/mol:	-102.96
Dipole, Da:	8.37
IP(EA), eV:	-8.8(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(CC1)C(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=CC5=C4N=CC=C5

DOS

IR

Vibrations