Geometry & MOs

Info

ID:

311508

PubChem CID:

126592980

Reduced:

BrFO4N6C30H34 (1)

Stoich.:

ABC4D6E30F34 (1)

Weight, g/mol:

682.02003

ΔHf, kcal/mol:

-110.67

Dipole, Da:

1.58

IP(EA), eV:

 -8.52(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[(2Z)-2-(3-bromo-4-fluoroanilino)-2-iodoiminoacetyl]-N-[4-[1-(2-hydroxyethyl)pyrazol-4-yl]phenyl]piperidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CCOC(C1)OCCN2C=C(C=N2)C3=CC=C(C=C3)NC(=O)N4CCC(CC4)C(=O)C(=NC5=CC(=C(C=C5)F)Br)N

DOS

IR

Vibrations