Geometry & MOs

Info

ID:	148888
PubChem CID:	53788558
Reduced:	NSO4C21H31 (1)
Stoich.:	ABC4D21E31 (1)
Weight, g/mol:	307.154784
ΔH_f, kcal/mol:	-195.68
Dipole, Da:	3.5
IP(EA), eV:	-9.3(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,4-difluorophenyl)-5-(3,3-dimethylbutyl)-2-fluoroaniline

Drug info:

PubChemData

Smile

CCCCCC(=O)SCC(=O)N(C1=C(C=CC(=C1C)C)C)[C@@H](C)C(=O)OC

DOS

IR

Vibrations