Geometry & MOs

Info

ID:	62075
PubChem CID:	26717451
Reduced:	Cl2N2O2F3H15C18 (1)
Stoich.:	A2B2C2D3E15F18 (1)
Weight, g/mol:	394.048712
ΔH_f, kcal/mol:	-224.68
Dipole, Da:	3.11
IP(EA), eV:	-9.65(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide

Drug info:

PubChemData

Smile

C[C@H](C1=CC(=C(C=C1)Cl)Cl)NC(=O)CNC(=O)C2=CC=C(C=C2)C(F)(F)F

DOS

IR

Vibrations