Geometry & MOs

Info

ID:	218500
PubChem CID:	85089539
Reduced:	SiN3O6C23H31 (1)
Stoich.:	AB3C6D23E31 (1)
Weight, g/mol:	473.169451
ΔH_f, kcal/mol:	-270.13
Dipole, Da:	3.55
IP(EA), eV:	-9.09(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-hexanoyl-4-oxo-2-thiophen-3-yl-2,3-dihydro-1,5-benzothiazepin-3-yl) hexanoate

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OC1CC(OC1C(=O)OC)N2C=CC(=NC2=O)NC(=O)C3=CC=CC=C3

DOS

IR

Vibrations