Geometry & MOs

Info

ID:	218876
PubChem CID:	85090097
Reduced:	SF2O4N6C23H26 (1)
Stoich.:	AB2C4D6E23F26 (1)
Weight, g/mol:	520.2897
ΔH_f, kcal/mol:	-151.48
Dipole, Da:	4.91
IP(EA), eV:	-8.47(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 5-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoylamino]propanoylamino]pentanoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NN(CC(CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O)C(=S)NC3=CC=C(C=C3)O

DOS

IR

Vibrations