Geometry & MOs

Info

ID:	186656
PubChem CID:	77463861
Reduced:	FO4N5C26H34 (1)
Stoich.:	AB4C5D26E34 (1)
Weight, g/mol:	305.089721
ΔH_f, kcal/mol:	-216.91
Dipole, Da:	3.34
IP(EA), eV:	-9.0(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(tert-butylsulfinylamino)-3-(2,4-difluorophenyl)propanoic acid

Drug info:

PubChemData

Smile

CC1(CCCN1)C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CN4C5CCCCC5C(=O)NC4=O)F

DOS

IR

Vibrations