Geometry & MOs

Info

ID:	140898
PubChem CID:	52780060
Reduced:	BrFN2O2C21H22 (1)
Stoich.:	ABC2D2E21F22 (1)
Weight, g/mol:	394.135114
ΔH_f, kcal/mol:	-89.43
Dipole, Da:	1.84
IP(EA), eV:	-8.63(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-(furan-2-ylmethyl)-2-[[(2S)-2-phenyl-2-phenylsulfanylacetyl]amino]propanamide

Drug info:

PubChemData

Smile

C1CN(CCC1NC2=CC=C(C=C2)F)C(=O)CCC(=O)C3=CC=C(C=C3)Br

DOS

IR

Vibrations