Geometry & MOs

Info

ID:	401419
PubChem CID:	135051218
Reduced:	FNOCl3H7C9 (1)
Stoich.:	ABCD3E7F9 (1)
Weight, g/mol:	359.134385
ΔH_f, kcal/mol:	-78.62
Dipole, Da:	3.4
IP(EA), eV:	-10.02(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-(benzylamino)-3-benzylsulfanyl-1-phenylprop-2-en-1-one

Drug info:

PubChemData

Smile

CN(C1=CC=C(C=C1)F)C(=O)C(Cl)(Cl)Cl

DOS

IR

Vibrations