Geometry & MOs

Info

ID:	350433
PubChem CID:	127277795
Reduced:	SO2N3C20H29 (1)
Stoich.:	AB2C3D20E29 (1)
Weight, g/mol:	396.219512
ΔH_f, kcal/mol:	-82.64
Dipole, Da:	1.97
IP(EA), eV:	-8.76(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazine-1-carbonyl]-1,3-thiazolidin-3-yl]propan-1-one

Drug info:

PubChemData

Smile

CCC(=O)N1CSCC1C(=O)NCC2=CC=C(C=C2)CN3CCCCC3

DOS

IR

Vibrations