Geometry & MOs

Info

ID:	418745
PubChem CID:	135106678
Reduced:	NF2O3C13H15 (1)
Stoich.:	AB2C3D13E15 (1)
Weight, g/mol:	640.358448
ΔH_f, kcal/mol:	-210.73
Dipole, Da:	7.42
IP(EA), eV:	-9.61(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R,6S,9S,12S,19S)-3-benzyl-9-ethyl-6-[(1R)-1-hydroxyethyl]-2,5,8,11,18-pentaoxo-1,4,7,10,17-pentazabicyclo[17.3.0]docosan-12-yl]-2-cyclopropylacetamide

Drug info:

PubChemData

Smile

C1CN(C[C@H]([C@H]1C(=O)O)O)CC2=C(C=CC=C2F)F

DOS

IR

Vibrations