Geometry & MOs

Info

ID:	44068
PubChem CID:	10500647
Reduced:	N3O6H13C20 (1)
Stoich.:	A3B6C13D20 (1)
Weight, g/mol:	391.135505
ΔH_f, kcal/mol:	-144.14
Dipole, Da:	4.83
IP(EA), eV:	-9.75(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-3-(4-hydroxyphenyl)-2-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoyl]azanium;2,2,2-trifluoroacetate

Drug info:

PubChemData

Smile

C1C(=O)N(C(=O)N(C1=O)NC(=O)C2=CC3=CC=CC=C3OC2=O)C4=CC=CC=C4

DOS

IR

Vibrations