Geometry & MOs

Info

ID:	275977
PubChem CID:	103819626
Reduced:	NSO5C15H21 (1)
Stoich.:	ABC5D15E21 (1)
Weight, g/mol:	345.101251
ΔH_f, kcal/mol:	-226.91
Dipole, Da:	7.32
IP(EA), eV:	-9.75(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-fluorophenyl)-4-oxo-2-(phenylmethoxycarbonylamino)butanoic acid

Drug info:

PubChemData

Smile

CCC1=CC=C(S1)C(=O)CC(C(=O)O)NC(=O)OC(C)(C)C

DOS

IR

Vibrations