Geometry & MOs

Info

ID:	194805
PubChem CID:	78591354
Reduced:	FSN4O4H15C16 (1)
Stoich.:	ABC4D4E15F16 (1)
Weight, g/mol:	333.184112
ΔH_f, kcal/mol:	-54.58
Dipole, Da:	3.9
IP(EA), eV:	-9.41(-1.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyano-3-[4-(dimethylamino)phenyl]-N-(2,4,6-trimethylphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC(C(=O)NNC(=S)NC1=CC=C(C=C1)[N+](=O)[O-])OC2=CC=C(C=C2)F

DOS

IR

Vibrations