Geometry & MOs

Info

ID:	361467
PubChem CID:	127303567
Reduced:	N3O4C18H31 (1)
Stoich.:	A3B4C18D31 (1)
Weight, g/mol:	322.171499
ΔH_f, kcal/mol:	-188.12
Dipole, Da:	3.44
IP(EA), eV:	-8.66(0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(oxan-2-yl)-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]propanamide

Drug info:

PubChemData

Smile

CN(CC1CCCO1)C(=O)CCN2CCN(CC2)C(=O)C3CCCO3

DOS

IR

Vibrations