Geometry & MOs

Info

ID:

179625

PubChem CID:

76511508

Reduced:

NO2C23H25 (1)

Stoich.:

AB2C23D25 (1)

Weight, g/mol:

1002.370192

ΔHf, kcal/mol:

-46.03

Dipole, Da:

5.23

IP(EA), eV:

 -9.28(0.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[3,5-bis(trifluoromethyl)phenyl]-3-[[3-[[[2-[[3-[[[3,5-bis(trifluoromethyl)phenyl]carbamoylamino]methyl]-5-tert-butyl-6-oxocyclohexa-2,4-dien-1-ylidene]methylamino]cyclohexyl]amino]methylidene]-5-tert-butyl-4-oxocyclohexa-1,5-dien-1-yl]methyl]urea

Drug info:

PubChemData

Smile

C1CCC2(CCCN(C2=O)C(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)C1

DOS

IR

Vibrations