Geometry & MOs

Info

ID:	313057
PubChem CID:	126611467
Reduced:	NSO4H15C18 (1)
Stoich.:	ABC4D15E18 (1)
Weight, g/mol:	515.274384
ΔH_f, kcal/mol:	-105.32
Dipole, Da:	1.8
IP(EA), eV:	-9.18(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(2-amino-3-hydroxybutanoyl)-1-[1-(2-amino-3-hydroxybutanoyl)pyrrolidine-2-carbonyl]-8-phenyl-1,7-diazaspiro[4.4]nonan-6-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)COC2=CC=C(C=C2)C[C@H]3C(=O)NC(=O)S3

DOS

IR

Vibrations