Geometry & MOs

Info

ID:	195194
PubChem CID:	78653285
Reduced:	BrSN3O3H14C16 (1)
Stoich.:	ABC3D3E14F16 (1)
Weight, g/mol:	370.149284
ΔH_f, kcal/mol:	-26.25
Dipole, Da:	5.47
IP(EA), eV:	-9.09(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyano-N-(2,4-difluorophenyl)-3-[4-(3-methylbutoxy)phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(C=CO1)C2=NN=C(O2)SC(C)C(=O)NC3=CC(=CC=C3)Br

DOS

IR

Vibrations