Geometry & MOs

Info

ID:

169989

PubChem CID:

75178305

Reduced:

FCl2O2N5H20C25 (1)

Stoich.:

AB2C2D5E20F25 (1)

Weight, g/mol:

667.354114

ΔHf, kcal/mol:

7.72

Dipole, Da:

6.24

IP(EA), eV:

 -8.91(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[[1-[[1-(9,9-dimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl)-3-methylbutyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)N2C(=C(C(=N2)C(=O)NCC3=CC=C(C=C3)F)CC(=NO)N)C4=CC=C(C=C4)Cl)Cl

DOS

IR

Vibrations