Geometry & MOs

Info

ID:

379206

PubChem CID:

134356751

Reduced:

BrN2O4C18H31 (1)

Stoich.:

AB2C4D18E31 (1)

Weight, g/mol:

947.438667

ΔHf, kcal/mol:

-228.14

Dipole, Da:

2.7

IP(EA), eV:

 -9.83(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[7-amino-1-(2,6-difluorophenoxy)-2-oxoheptan-3-yl]-3-[4-[[3-[2-[2-[2-[2-[5-[(2S,4S)-4-(carbamoylamino)thiolan-2-yl]pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]methyl]triazol-1-yl]benzamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCCCC[C@H](C(=O)CBr)NC(=O)C1CCCC1

DOS

IR

Vibrations