Geometry & MOs

Info

ID:	164464
PubChem CID:	74403290
Reduced:	S2N10O12C29H46 (1)
Stoich.:	A2B10C12D29E46 (1)
Weight, g/mol:	343.139528
ΔH_f, kcal/mol:	-508.77
Dipole, Da:	4.37
IP(EA), eV:	-8.5(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[(2,2,2-trifluoroacetyl)amino]oct-3-en-2-yl benzoate

Drug info:

PubChemData

Smile

CC(C)CC1C(=O)NCC(=O)N2CC(CC2C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NCC(=O)N1)CC(=O)O)N)C(=O)N)CC(=O)N)O

DOS

IR

Vibrations