Geometry & MOs

Info

ID:	65432
PubChem CID:	29214960
Reduced:	SO3N7H19C22 (1)
Stoich.:	AB3C7D19E22 (1)
Weight, g/mol:	388.184801
ΔH_f, kcal/mol:	70.64
Dipole, Da:	7.89
IP(EA), eV:	-8.28(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

dimethyl-[2-[(5S)-2-oxo-5-[[4-(trifluoromethoxy)phenyl]methylcarbamoyl]piperidin-1-yl]ethyl]azanium

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=NN=C(N3N)N/N=C\C4=CC=CC5=CC=CC=C54

DOS

IR

Vibrations