Geometry & MOs

Info

ID:	422101
PubChem CID:	135117202
Reduced:	N2O2F3C14H17 (1)
Stoich.:	A2B2C3D14E17 (1)
Weight, g/mol:	669.348611
ΔH_f, kcal/mol:	-234.76
Dipole, Da:	2.54
IP(EA), eV:	-10.04(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-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]-5-oxopyrrolidine-2-carboxamide

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C1[C@H]([C@H](CO1)NC(=O)CCC(F)(F)F)CC2=CC=NC=C2

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C1[C@H]([C@H](CO1)NC(=O)CCC(F)(F)F)CC2=CC=NC=C2

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):