Geometry & MOs

Info

ID:	232601
PubChem CID:	87576500
Reduced:	PS3N5O13C82H82 (1)
Stoich.:	AB3C5D13E82F82 (1)
Weight, g/mol:	257.901817
ΔH_f, kcal/mol:	-319.85
Dipole, Da:	5.74
IP(EA), eV:	-8.72(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-trichlorosilylbutanoic acid;hydrochloride

Drug info:

Smile

CC(=O)CCC(=O)O[C@@H]1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)NC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=C(C=C6)OC)COP(=S)(OCCSC(C7=CC=CC=C7)(C8=CC=C(C=C8)OC)C9=CC=C(C=C9)OC)OCCSC(C1=CC=CC=C1)(C1=CC=C(C=C1)OC)C1=CC=C(C=C1)OC)OC

DOS

IR

Vibrations