Geometry & MOs

Info

ID:	153695
PubChem CID:	56312989
Reduced:	F3N3O4H24C25 (1)
Stoich.:	A3B3C4D24E25 (1)
Weight, g/mol:	479.149047
ΔH_f, kcal/mol:	-241.94
Dipole, Da:	6.08
IP(EA), eV:	-9.02(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide

Drug info:

PubChemData

Smile

C1COCCN1C(CNC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CO3)C4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations