Geometry & MOs

Info

ID:	39383
PubChem CID:	8140567
Reduced:	F2N2O3C20H25 (1)
Stoich.:	A2B2C3D20E25 (1)
Weight, g/mol:	361.158589
ΔH_f, kcal/mol:	-170.08
Dipole, Da:	5.32
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.000932
Charge, e:	1

Chem-info

IUPAC name:

dimethyl-[[2-[[(2-methyl-5-methylsulfonylbenzoyl)amino]methyl]phenyl]methyl]azanium

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)C(=O)NCC2=CC=CC=C2C[NH+](C)C)OC(F)F

DOS

IR

Vibrations