Geometry & MOs

Info

ID:	28347
PubChem CID:	827132
Reduced:	OSN2C19H22 (1)
Stoich.:	ABC2D19E22 (1)
Weight, g/mol:	342.140199
ΔH_f, kcal/mol:	3.41
Dipole, Da:	3.37
IP(EA), eV:	-8.61(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]-(4-methylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)SC2=CC=CC=C2C(=O)N3CCN(CC3)C

DOS

IR

Vibrations