Geometry & MOs

Info

ID:	39177
PubChem CID:	8139872
Reduced:	SN2O5C13H18 (1)
Stoich.:	AB2C5D13E18 (1)
Weight, g/mol:	305.146545
ΔH_f, kcal/mol:	-192.21
Dipole, Da:	4.93
IP(EA), eV:	-9.92(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-[[(3,4-difluorobenzoyl)amino]methyl]phenyl]methyl-dimethylazanium

Drug info:

PubChemData

Smile

CCNC(=O)[C@H](C)OC(=O)C1=CC(=CC=C1)S(=O)(=O)NC

DOS

IR

Vibrations