Geometry & MOs

Info

ID:	195584
PubChem CID:	78704575
Reduced:	SO4N5C19H19 (1)
Stoich.:	AB4C5D19E19 (1)
Weight, g/mol:	385.152773
ΔH_f, kcal/mol:	-9.71
Dipole, Da:	7.56
IP(EA), eV:	-8.84(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-(2,4-difluorophenyl)ethyl-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]azanium

Drug info:

PubChemData

Smile

CCC1=CC(=CC=C1)NC(=S)NN2C(=O)C(NC2=O)(C)C3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations