Geometry & MOs

Info

ID:	135738
PubChem CID:	51924336
Reduced:	F2N3O4C16H19 (1)
Stoich.:	A2B3C4D16E19 (1)
Weight, g/mol:	377.158685
ΔH_f, kcal/mol:	-185.59
Dipole, Da:	3.16
IP(EA), eV:	-9.11(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(2S)-1-[2-[[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C2=NOC(=N2)CN3CCC[C@@H](C3)O)OC(F)F

DOS

IR

Vibrations