Geometry & MOs

Info

ID:	147176
PubChem CID:	53786829
Reduced:	F3O3N4H19C24 (1)
Stoich.:	A3B3C4D19E24 (1)
Weight, g/mol:	489.177897
ΔH_f, kcal/mol:	-173.96
Dipole, Da:	7.41
IP(EA), eV:	-9.92(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[acetyl-[2-(4-chlorophenoxy)acetyl]amino]-2-(benzylamino)-5-(diaminomethylideneamino)pentanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@H]([C@@H](C2=CC=CC=C2)N(C#N)C(=O)NC3=CC=C(C=C3)C(F)(F)F)NC(=O)O

DOS

IR

Vibrations