Geometry & MOs

Info

ID:	159132
PubChem CID:	57260514
Reduced:	NOC6H6 (2)
Stoich.:	ABC6D6 (2)
Weight, g/mol:	573.256289
ΔH_f, kcal/mol:	-18.92
Dipole, Da:	1.65
IP(EA), eV:	-8.65(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[(2S,3R)-3-hydroxy-1-phenyl-4-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]butan-2-yl]-2-(3H-isoquinoline-2-carbonylamino)butanediamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)O)N(C2=CC(=CC=C2)O)N

DOS

IR

Vibrations