Geometry & MOs

Info

ID:	49874
PubChem CID:	11534070
Reduced:	O2F5N6C26H27 (1)
Stoich.:	A2B5C6D26E27 (1)
Weight, g/mol:	551.253255
ΔH_f, kcal/mol:	-254.25
Dipole, Da:	3.98
IP(EA), eV:	-9.7(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[4-[(4-carbamimidoylphenyl)carbamoyl]-2,5-diphenyl-1-propan-2-ylpyrrol-3-yl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

C1C[C@H](C2=NN=C(N2C[C@@H]1C3=C(C(=CC=C3)F)F)CC(F)(F)F)CC(=O)N4CCC(CC4)C5=CC=NNC5=O

DOS

IR

Vibrations