Geometry & MOs

Info

ID:	270137
PubChem CID:	103629977
Reduced:	SO3N4C10H16 (1)
Stoich.:	AB3C4D10E16 (1)
Weight, g/mol:	292.085719
ΔH_f, kcal/mol:	-111.56
Dipole, Da:	6.43
IP(EA), eV:	-8.62(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-phenyl-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide

Drug info:

PubChemData

Smile

CS(=O)(=O)NCCCNC(=O)C1=C(N=CC=C1)N

DOS

IR

Vibrations