Geometry & MOs

Info

ID:	218717
PubChem CID:	85089852
Reduced:	FNO6C28H34 (1)
Stoich.:	ABC6D28E34 (1)
Weight, g/mol:	499.177707
ΔH_f, kcal/mol:	-273.24
Dipole, Da:	10.24
IP(EA), eV:	-8.57(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[1-[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]pyrrolidine-2-carbonyl]amino]-3-sulfanylpropanoic acid

Drug info:

PubChemData

Smile

CC12CC(C3(C(C1CCC2(C(=O)COC(=O)C4=CN(C=CC4)C)O)CCC5=CC(=O)C=CC53C)F)O

DOS

IR

Vibrations