Geometry & MOs

Info

ID:	299117
PubChem CID:	117671484
Reduced:	O3C15H20 (1)
Stoich.:	A3B15C20 (1)
Weight, g/mol:	354.119127
ΔH_f, kcal/mol:	-111.86
Dipole, Da:	3.16
IP(EA), eV:	-9.35(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R)-2-[(1S)-1-hydroxy-3-[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]propyl]pent-4-ynoate

Drug info:

PubChemData

Smile

COC(=O)[C@H](CC=C)[C@@H](CCC1=CC=CC=C1)O

DOS

IR

Vibrations