Geometry & MOs

Info

ID:

170969

PubChem CID:

75307049

Reduced:

NO4C26H27 (1)

Stoich.:

AB4C26D27 (1)

Weight, g/mol:

599.29668

ΔHf, kcal/mol:

-128.53

Dipole, Da:

2.97

IP(EA), eV:

 -9.31(-0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[[2-(3-fluorophenyl)-1-(2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl)ethyl]amino]-1-(3-methoxyphenyl)-3-oxopropyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C2C(CC3C2C(C3C(=O)C4=CC=CC=C4)C1=O)C5=CC=CC=C5

DOS

IR

Vibrations