Geometry & MOs

Info

ID:

124838

PubChem CID:

50898253

Reduced:

ClNSO4C17H18 (1)

Stoich.:

ABCD4E17F18 (1)

Weight, g/mol:

704.385749

ΔHf, kcal/mol:

-87.74

Dipole, Da:

6.18

IP(EA), eV:

 -9.82(-1.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2S)-3-(1H-indol-3-yl)-1-[[(2S)-1-[[(1R)-3-methyl-1-[(1S,2R,6S,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]butyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CC\1=CC(=O)C(=C/C1=N\OS(=O)(=O)C2=CC=CC=C2Cl)C(C)(C)C

DOS

IR

Vibrations