Geometry & MOs

Info

ID:

224151

PubChem CID:

85338765

Reduced:

N5O5C37H43 (1)

Stoich.:

A5B5C37D43 (1)

Weight, g/mol:

777.363297

ΔHf, kcal/mol:

-157.64

Dipole, Da:

5.45

IP(EA), eV:

 -8.51(-1.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-methyl-8-[[2-(methylcarbamoyl)phenyl]carbamoylamino]-4-oxo-3-[[3-(trifluoromethyl)phenyl]methylamino]-N-[1-(6,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl)propyl]-6,7-dihydropyrrolo[1,2-a]pyrimidine-6-carboxamide

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)N1CCCC1C(=O)NCCCNC2=CC=CC3=C2C(=O)C4=CC=CC=C4C3=O)NC(=O)C(CC5=CC=CC=C5)N

DOS

IR

Vibrations