Geometry & MOs

Info

ID:	354854
PubChem CID:	127287614
Reduced:	O3N4C13H22 (1)
Stoich.:	A3B4C13D22 (1)
Weight, g/mol:	360.161997
ΔH_f, kcal/mol:	-96.96
Dipole, Da:	6.43
IP(EA), eV:	-9.59(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-ylamino]ethanone

Drug info:

PubChemData

Smile

CC1=NC(=NO1)C(C)(C)NC(=O)NCC2CCCOC2

DOS

IR

Vibrations