Geometry & MOs

Info

ID:	325694
PubChem CID:	126684531
Reduced:	ClFNSO7C32H37 (1)
Stoich.:	ABCDE7F32G37 (1)
Weight, g/mol:	422.104478
ΔH_f, kcal/mol:	-340.53
Dipole, Da:	7.12
IP(EA), eV:	-9.21(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,4R)-5-[4-(5-chloro-2-fluorophenyl)phenyl]-4-formamido-2-(methoxycarbonylamino)pentanoic acid

Drug info:

PubChemData

Smile

CCOC(=O)C(C[C@@H](CC1=CC=C(C=C1)C2=C(C=CC(=C2)Cl)F)NC(=O)OC(C)(C)C)COS(=O)(=O)C3=CC=C(C=C3)C

DOS

IR

Vibrations