Geometry & MOs

Info

ID:	134066
PubChem CID:	51636267
Reduced:	SO2N4C22H34 (1)
Stoich.:	AB2C4D22E34 (1)
Weight, g/mol:	407.278407
ΔH_f, kcal/mol:	-56.71
Dipole, Da:	4.22
IP(EA), eV:	-8.7(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[5-methoxy-2-[(oxan-4-ylmethylamino)methyl]phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol

Drug info:

PubChemData

Smile

CCCCN1C(=CN=C1S(=O)(=O)CC)CN(C)C[C@H]2CC3=CC=CC=C3CN2C

DOS

IR

Vibrations