Geometry & MOs

Info

ID:	218555
PubChem CID:	85089615
Reduced:	S2N3O4C23H33 (1)
Stoich.:	A2B3C4D23E33 (1)
Weight, g/mol:	479.168635
ΔH_f, kcal/mol:	-55.83
Dipole, Da:	4.54
IP(EA), eV:	-8.54(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(chloromethyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hex-5-en-3-yl] 3,3,3-trifluoro-2-methoxy-2-phenylpropanoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N=S(C2=CC=CC=C2[N+](=O)[O-])N(CCC(C)C)CCC(C)C

DOS

IR

Vibrations