Geometry & MOs

Info

ID:	412206
PubChem CID:	135085081
Reduced:	NCl3O5C22H32 (1)
Stoich.:	AB3C5D22E32 (1)
Weight, g/mol:	1168.68458
ΔH_f, kcal/mol:	-274.51
Dipole, Da:	9.18
IP(EA), eV:	-8.92(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CCCC(CCC)(C(Cl)(Cl)Cl)OC(=O)N[C@@H](CC1=CC=C(C=C1)OC(C)(C)C)C(=O)O

DOS

IR

Vibrations