Geometry & MOs

Info

ID:	33487
PubChem CID:	7886706
Reduced:	BrFO2N3H13C17 (1)
Stoich.:	ABC2D3E13F17 (1)
Weight, g/mol:	354.103814
ΔH_f, kcal/mol:	-69.17
Dipole, Da:	4.17
IP(EA), eV:	-9.05(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-benzylsulfanylethylamino)-2-oxoethyl] 3-cyanobenzoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)NC(=O)CN2C=NC3=C(C2=O)C=C(C=C3)Br

DOS

IR

Vibrations