Geometry & MOs

Info

ID:	325690
PubChem CID:	126684507
Reduced:	ClFNO5C26H33 (1)
Stoich.:	ABCD5E26F33 (1)
Weight, g/mol:	398.096411
ΔH_f, kcal/mol:	-292.02
Dipole, Da:	2.83
IP(EA), eV:	-9.28(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2R,4R)-2,4-diamino-5-[2-chloro-4-(5-chloro-2-fluorophenyl)phenyl]pentanoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations