Geometry & MOs

Info

ID:

82686

PubChem CID:

49856344

Reduced:

ClNO3H16C17 (1)

Stoich.:

ABC3D16E17 (1)

Weight, g/mol:

562.296265

ΔHf, kcal/mol:

-92.31

Dipole, Da:

5.5

IP(EA), eV:

 -9.72(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[[(1R)-3-methyl-1-[(1S,2S,6R,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]butyl]amino]-1-(2-nitrophenyl)-3-oxopropyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

COC(=O)CC(C1=CC=CC=C1Cl)NC(=O)C2=CC=CC=C2

DOS

IR

Vibrations