Geometry & MOs

Info

ID:	32760
PubChem CID:	7848100
Reduced:	NO3C17H21 (1)
Stoich.:	AB3C17D21 (1)
Weight, g/mol:	412.109293
ΔH_f, kcal/mol:	-111.8
Dipole, Da:	3.96
IP(EA), eV:	-9.02(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate

Drug info:

PubChemData

Smile

C[C@H](C(=O)C1=CNC2=CC=CC=C21)OC(=O)CCC(C)C

DOS

IR

Vibrations