Geometry & MOs

Info

ID:	299114
PubChem CID:	117671481
Reduced:	O2F3N3C16H16 (1)
Stoich.:	A2B3C3D16E16 (1)
Weight, g/mol:	340.103477
ΔH_f, kcal/mol:	-91.58
Dipole, Da:	6.12
IP(EA), eV:	-9.84(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[(1R)-1-hydroxy-3-[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]propyl]pent-4-ynoic acid

Drug info:

PubChemData

Smile

C#CC[C@H]([C@@H](CCC1=CC=C(C=C1)C2(N=N2)C(F)(F)F)O)C(=O)N

DOS

IR

Vibrations