Geometry & MOs

Info

ID:	243111
PubChem CID:	99215695
Reduced:	SF3O3N4H19C20 (1)
Stoich.:	AB3C3D4E19F20 (1)
Weight, g/mol:	433.21139
ΔH_f, kcal/mol:	-198.08
Dipole, Da:	2.15
IP(EA), eV:	-8.97(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(1R)-1-[[2-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetyl]amino]ethyl]phenyl]triazole-4-carboxamide

Drug info:

PubChemData

Smile

C[C@H](C1=CC=C(C=C1)NS(=O)(=O)C)NC(=O)C2=CC=C(C=C2)N3C=CC(=N3)C(F)(F)F

DOS

IR

Vibrations