Geometry & MOs

Info

ID:	449512
PubChem CID:	135299181
Reduced:	NO2C10H13 (1)
Stoich.:	AB2C10D13 (1)
Weight, g/mol:	621.170861
ΔH_f, kcal/mol:	-70.18
Dipole, Da:	4.66
IP(EA), eV:	-8.64(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(5S)-1-(6-aminohexanoyl)-5-[[hydroxy(methoxy)phosphinothioyl]oxymethyl]pyrrolidin-3-yl] [(2S,4R)-4-hydroxy-1-(4-sulfanylbutanoyl)pyrrolidin-2-yl]methyl hydrogen phosphate

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)N)CCC(=O)CO

DOS

IR

Vibrations