Geometry & MOs

Info

ID:

222752

PubChem CID:

85332363

Reduced:

SN2F4O5H22C23 (1)

Stoich.:

AB2C4D5E22F23 (1)

Weight, g/mol:

518.27005

ΔHf, kcal/mol:

-376.89

Dipole, Da:

2.47

IP(EA), eV:

 -9.62(-1.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-benzamido-4-oxo-N-[1-(6,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl)propyl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide

Drug info:

PubChemData

Smile

C1CCN(C(C1)C(=O)NC(CC(=O)O)C(=O)CF)C(=O)C2=CC=C(S2)C3=CC(=CC=C3)C(F)(F)F

DOS

IR

Vibrations