Geometry & MOs

Info

ID:	123149
PubChem CID:	50835087
Reduced:	SO2N3H17C18 (1)
Stoich.:	AB2C3D17E18 (1)
Weight, g/mol:	473.144299
ΔH_f, kcal/mol:	17.58
Dipole, Da:	4.69
IP(EA), eV:	-9.39(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,5-dimethylphenyl)-4-oxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C2=CC=CS2)C3=NN=C(O3)C4=CC=CC=C4

DOS

IR

Vibrations