Geometry & MOs

Info

ID:	449684
PubChem CID:	135300618
Reduced:	O2N3H8C9 (2)
Stoich.:	A2B3C8D9 (2)
Weight, g/mol:	374.1278
ΔH_f, kcal/mol:	-9.14
Dipole, Da:	2.73
IP(EA), eV:	-9.28(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[4-[[2-(4-fluorophenyl)acetyl]amino]phenyl]methoxycarbonylamino]propanoic acid

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)C[C@@H](C(=O)OCC#N)NC(=O)OCC2=CC=C(C=C2)N=[N+]=[N-]

DOS

IR

Vibrations