Geometry & MOs

Info

ID:	155290
PubChem CID:	56352876
Reduced:	S2O3N4C21H24 (1)
Stoich.:	A2B3C4D21E24 (1)
Weight, g/mol:	439.244662
ΔH_f, kcal/mol:	-49.43
Dipole, Da:	3.15
IP(EA), eV:	-8.84(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C(CC1=CC=CC=C1)CNC(=O)C(C)N2C(=NNC2=S)C3=CC=CS3

DOS

IR

Vibrations