Geometry & MOs

Info

ID:	150769
PubChem CID:	53790465
Reduced:	ClON3C16H18 (1)
Stoich.:	ABC3D16E18 (1)
Weight, g/mol:	548.29987
ΔH_f, kcal/mol:	23.26
Dipole, Da:	7.03
IP(EA), eV:	-8.32(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4S)-1-[2-[2-aminoethyl(butyl)amino]-2-oxoethyl]-4-(2,3-dihydro-1-benzofuran-5-yl)-2-[2-(2-oxo-3H-indol-1-yl)ethyl]pyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=O)C(=NC2=CC(=C(C=C2)N(C)C)Cl)C(=C1N)C

DOS

IR

Vibrations