Geometry & MOs

Info

ID:	140081
PubChem CID:	52643083
Reduced:	BrN2O3C18H21 (1)
Stoich.:	AB2C3D18E21 (1)
Weight, g/mol:	374.090055
ΔH_f, kcal/mol:	-86.46
Dipole, Da:	6.35
IP(EA), eV:	-8.53(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-cyano-N-[4-(difluoromethylsulfanyl)phenyl]-3-(3-ethoxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Br)NC(=O)N[C@H](C)C2=C(C=CC(=C2)OC)OC

DOS

IR

Vibrations