Geometry & MOs

Info

ID:	32818
PubChem CID:	7848627
Reduced:	FNSO6C19H22 (1)
Stoich.:	ABCD6E19F22 (1)
Weight, g/mol:	412.145678
ΔH_f, kcal/mol:	-245.42
Dipole, Da:	2.86
IP(EA), eV:	-8.13(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-tert-butylanilino)-2-oxoethyl] 4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)OCCOC(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)F

DOS

IR

Vibrations