Geometry & MOs

Info

ID:	223662
PubChem CID:	85335384
Reduced:	O2N5C29H31 (1)
Stoich.:	A2B5C29D31 (1)
Weight, g/mol:	477.172228
ΔH_f, kcal/mol:	-4.52
Dipole, Da:	7.57
IP(EA), eV:	-8.79(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(4-benzhydrylpiperazin-1-yl)sulfonylphenyl]-N-hydroxyprop-2-enamide

Drug info:

PubChemData

Smile

C1CN(CCC1N2C3=CC=CC=C3NC2=O)CC4=CC=C(C=C4)C5C(NCC(=O)N5)C6=CC=CC=C6

DOS

IR

Vibrations