Geometry & MOs

Info

ID:	62667
PubChem CID:	26732637
Reduced:	ClSN2O3H19C21 (1)
Stoich.:	ABC2D3E19F21 (1)
Weight, g/mol:	368.117235
ΔH_f, kcal/mol:	-53.48
Dipole, Da:	2.18
IP(EA), eV:	-9.16(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-2-cyano-3-[4-[[2-(2-fluorophenoxy)acetyl]amino]phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C/C1=CC=C(C=C1)NC(=O)CCSC2=CC=C(C=C2)Cl)/C#N

DOS

IR

Vibrations