Geometry & MOs

Info

ID:	180116
PubChem CID:	76581196
Reduced:	ClO2C15H16 (2)
Stoich.:	AB2C15D16 (2)
Weight, g/mol:	552.315914
ΔH_f, kcal/mol:	-148.08
Dipole, Da:	4.89
IP(EA), eV:	-9.4(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[2-hydroxy-3-[[1-[2-(2-methylpropoxycarbonylamino)hex-5-enoyl]pyrrolidine-2-carbonyl]amino]oct-7-enoyl]amino]acetate

Drug info:

PubChemData

Smile

C1C(C(C(C1Cl)Cl)CCC2=CC(=CC=C2)C(CC3=CC=CC=C3)O)COCC4=CC(=CC=C4)C(=O)O

DOS

IR

Vibrations