Geometry & MOs

Info

ID:	166070
PubChem CID:	74633776
Reduced:	F2O2N4C22H27 (1)
Stoich.:	A2B2C4D22E27 (1)
Weight, g/mol:	383.160481
ΔH_f, kcal/mol:	-128.81
Dipole, Da:	4.96
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756072
Charge, e:	1

Chem-info

IUPAC name:

1-[4-(diethylsulfamoyl)phenyl]ethyl-[(3,4-difluorophenyl)methyl]azanium

Drug info:

PubChemData

Smile

CC(C1=CC(=C(C=C1)F)F)NC(=O)NC2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3

DOS

IR

Vibrations