Geometry & MOs

Info

ID:	49285
PubChem CID:	11532651
Reduced:	NO3H25C29 (1)
Stoich.:	AB3C25D29 (1)
Weight, g/mol:	457.135922
ΔH_f, kcal/mol:	-37.74
Dipole, Da:	2.82
IP(EA), eV:	-9.48(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[[4-[4-[(3-fluorophenoxy)methyl]phenyl]phenyl]sulfonylamino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCC(=O)N(CC2=CC(=CC=C2)C3=CC=C(C=C3)C(=O)O)C4=CC=CC=C4

DOS

IR

Vibrations