Geometry & MOs

Info

ID:

328177

PubChem CID:

126693090

Reduced:

ClSO2N5C23H26 (1)

Stoich.:

ABC2D5E23F26 (1)

Weight, g/mol:

618.256699

ΔHf, kcal/mol:

-17.6

Dipole, Da:

7.25

IP(EA), eV:

 -9.52(-1.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-ethylbutyl (2S)-2-[[[(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4-dihydroxy-5-(methyliminomethyl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)NCC(C)(C)O)C4=CC=C(C=C4)Cl)C

DOS

IR

Vibrations