Geometry & MOs

Info

ID:

83070

PubChem CID:

49857112

Reduced:

FNO3C21H22 (1)

Stoich.:

ABC3D21E22 (1)

Weight, g/mol:

598.276966

ΔHf, kcal/mol:

-151.21

Dipole, Da:

3.22

IP(EA), eV:

 -9.5(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(3-chlorophenyl)-3-[[(1R)-2-(2-methylphenyl)-1-[(1S,2S,6R,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]ethyl]amino]-3-oxopropyl]benzamide

Drug info:

PubChemData

Smile

COC(=O)CC(C1=CC(=CC=C1)F)NC(=O)[C@H]2CCCC3=CC=CC=C23

DOS

IR

Vibrations