Geometry & MOs

Info

ID:	148219
PubChem CID:	53787881
Reduced:	S2N4O7C17H20 (1)
Stoich.:	A2B4C7D17E20 (1)
Weight, g/mol:	416.282764
ΔH_f, kcal/mol:	-188.41
Dipole, Da:	3.32
IP(EA), eV:	-9.47(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-(diethylamino)phenyl]methyl]-6-[[4-(diethylamino)phenyl]methylidene]cyclohex-2-en-1-one

Drug info:

PubChemData

Smile

CS(=O)(=O)NC1CC(N(C1)S(=O)(=O)C2=CC=C(C=C2)OC3=CC=NC=C3)C(=O)NO

DOS

IR

Vibrations