Geometry & MOs

Info

ID:

188112

PubChem CID:

77668189

Reduced:

F3N5O6C33H46 (1)

Stoich.:

A3B5C6D33E46 (1)

Weight, g/mol:

644.291117

ΔHf, kcal/mol:

-456.83

Dipole, Da:

4.43

IP(EA), eV:

 -9.07(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-[(3-cyanophenyl)carbamoylamino]-1-[4-[(4-fluorophenyl)methyl]piperidin-2-yl]-4-phenylbutan-2-yl] N-(3-cyanophenyl)carbamate

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)OCCCCN1C2=C(C=C(C=C2)CNC(=O)OC(C)(C)C)N=C1CN3C4CCCCC4C(=O)N(C3=O)CC(F)(F)F

DOS

IR

Vibrations