Geometry & MOs

Info

ID:	309249
PubChem CID:	126540986
Reduced:	OF4H16C22 (2)
Stoich.:	AB4C16D22 (2)
Weight, g/mol:	272.074836
ΔH_f, kcal/mol:	-365.72
Dipole, Da:	2.18
IP(EA), eV:	-8.6(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,7-dimethyl-N,5-dimethylidene-1-(phosphanylidynemethyl)azepane-4-sulfonamide

Drug info:

PubChemData

Smile

CC(C(C1(C2=C(C=CC(=C2)C3=CC=C(C=C3)C4=CC=C(C=C4)O)C5=C1C=C(C=C5)C6=CC=C(C=C6)C7=CC=C(C=C7)OC)C(C(C)(F)F)(F)F)(F)F)(F)F

DOS

IR

Vibrations