Geometry & MOs

Info

ID:	39122
PubChem CID:	8139725
Reduced:	SN2O5C18H22 (1)
Stoich.:	AB2C5D18E22 (1)
Weight, g/mol:	343.182181
ΔH_f, kcal/mol:	-189.16
Dipole, Da:	2.51
IP(EA), eV:	-8.69(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-[[[4-(4-fluorophenyl)-4-oxobutanoyl]amino]methyl]phenyl]methyl-dimethylazanium

Drug info:

PubChemData

Smile

CCNC(=O)[C@@H](C)OC(=O)[C@@H](CCSC)N1C(=O)C2=CC=CC=C2C1=O

DOS

IR

Vibrations