Geometry & MOs

Info

ID:	145380
PubChem CID:	53513197
Reduced:	ClO2S2N3H14C16 (1)
Stoich.:	AB2C2D3E14F16 (1)
Weight, g/mol:	347.166748
ΔH_f, kcal/mol:	-27.57
Dipole, Da:	5.0
IP(EA), eV:	-9.15(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide

Drug info:

PubChemData

Smile

CC(C1=CC=C(S1)Cl)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C

DOS

IR

Vibrations