Geometry & MOs

Info

ID:	190318
PubChem CID:	77984477
Reduced:	SN4O5C16H26 (1)
Stoich.:	AB4C5D16E26 (1)
Weight, g/mol:	529.257671
ΔH_f, kcal/mol:	-209.73
Dipole, Da:	5.09
IP(EA), eV:	-9.02(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[4-[[[1-[2-amino-3-(4-phenylphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]methyl]phenoxy]acetate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(C(C1)OS(=O)(=O)C)CNC2=NC=CC=N2

DOS

IR

Vibrations