Geometry & MOs

Info

ID:	349619
PubChem CID:	127275771
Reduced:	N3O4C20H29 (1)
Stoich.:	A3B4C20D29 (1)
Weight, g/mol:	339.080826
ΔH_f, kcal/mol:	-167.92
Dipole, Da:	3.49
IP(EA), eV:	-9.37(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-chloro-1,3-benzothiazol-2-yl)methyl]-2-methyl-1,4-oxazepane-4-carboxamide

Drug info:

PubChemData

Smile

CC1CN(CCCO1)C(=O)NCC2=CC(=CC=C2)C(=O)NCC3CCCO3

DOS

IR

Vibrations